SCHEMBL13734237

SCHEMBL13734237

CC1=CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.46
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CTSK P43235 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13737164 1.00 BTK (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL5527336 1.00 BTK (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL23048922 0.87 KDM1A (0.45) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL22199165 0.86 NFKB1 (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL2630501 0.86 NFKB1 (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL2630499 0.86 NFKB1 (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL25041953 0.85 BTK (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL24831927 0.84 BTK (0.44) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL15122679 0.84 BTK (0.44) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL22680983 0.82 DRD2 (0.44) BTKNFKB1NFKB2RELAKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 — — US disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 — — EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 — — EP disclosed
US-11780801-B2 Methods of synthesis of (1R,2R,5R)-5-amino-2-methyl-cyclohexanol hydrochloride and intermediates useful therein CELGENE CORPORATION (US) 2023-10-10 — — US disclosed
US-11780801-B2 Methods of synthesis of (1R,2R,5R)-5-amino-2-methyl-cyclohexanol hydrochloride and intermediates useful therein CELGENE CORPORATION (US) 2023-10-10 — — US disclosed
US-11780801-B2 Methods of synthesis of (1R,2R,5R)-5-amino-2-methyl-cyclohexanol hydrochloride and intermediates useful therein CELGENE CORPORATION (US) 2023-10-10 — — US disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 — — US disclosed
US-11492332-B2 Isotopologues of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide SIGNAL PHARMACEUTICALS, LLC (US) 2022-11-08 — — US disclosed
US-20220234990-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYL-CYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN CELGENE CORP (US) 2022-07-28 — — US disclosed
US-20220234990-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYL-CYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN CELGENE CORP (US) 2022-07-28 — — US disclosed
US-9365524-B2 Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-06-14 — — US disclosed
US-9365524-B2 Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-06-14 — — US disclosed
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-26 — — US disclosed
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 — — US disclosed
WO-2015116755-A2 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS, LLC (US) 2015-08-06 — — WO disclosed
US-20150210650-A1 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS LLC 2015-07-30 — — US disclosed
US-20150210650-A1 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS LLC 2015-07-30 — — US disclosed
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 — — EP disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 — — US disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 BTK 2349/4885NFKB1 483/4885NFKB2 444/4885
US-20150210650-A1 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT BTK 1729/4885NFKB1 2697/4885NFKB2 3807/4885
US-11780801-B2 Methods of synthesis of (1R,2R,5R)-5-amino-2-methyl-cyclohexanol hydrochloride and intermediates useful therein MAPKAPK2, MAP3K8, MAPK1 BTK 4303/4885NFKB1 933/4885NFKB2 1418/4885
US-11492332-B2 Isotopologues of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TERT, BRD4 BTK 4416/4885NFKB1 3363/4885NFKB2 4401/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 BTK 2349/4885NFKB1 483/4885NFKB2 444/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 BTK 2349/4885NFKB1 483/4885NFKB2 444/4885
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 BTK 2349/4885NFKB1 483/4885NFKB2 444/4885
US-20220234990-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYL-CYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN MAPKAPK2, MAP3K8, MAPK1 BTK 4303/4885NFKB1 933/4885NFKB2 1418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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