SCHEMBL16944005

SCHEMBL16944005

C[C@@H]1CCC(N[C@@H](C)c2ccccc2)=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ROCK1 Q13464 2/20 0.36
AURKB Q96GD4 2/20 0.36
DCLK1 O15075 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL22100984 1.00 BRD4 (0.41) BRD4GAAL3MBTL1IDH1TAAR1
SCHEMBL16944006 1.00 BRD4 (0.41) BRD4GAAL3MBTL1IDH1TAAR1
SCHEMBL22680884 1.00 BRD4 (0.41) BRD4GAAL3MBTL1IDH1TAAR1
SCHEMBL22680890 0.84 CA1 (0.33) BRD4GAAL3MBTL1RECQLCYP2D6
SCHEMBL21082198 0.74 POLB (0.50) GAAL3MBTL1TAAR1POLBRECQL
SCHEMBL5277543 0.74 POLB (0.50) GAAL3MBTL1TAAR1POLBRECQL
SCHEMBL22100981 0.74 GAA (0.44) BRD4GAAL3MBTL1TAAR1POLB
SCHEMBL5277549 0.74 POLB (0.50) GAAL3MBTL1TAAR1POLBRECQL
SCHEMBL18057031 0.71 GAA (0.41) GAAL3MBTL1TAAR1POLBRECQL
SCHEMBL21082138 0.71 GAA (0.41) GAAL3MBTL1TAAR1POLBRECQL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241430-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) 2022-02-08 US disclosed
EP-3738954-A1 METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES Signal Pharmaceuticals, LLC (US) 2020-11-18 EP disclosed
EP-3099302-B1 CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-10517873-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) 2019-12-31 US disclosed
US-20190167678-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 PHARM LLC (US) 2019-06-06 US disclosed
US-10226461-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) 2019-03-12 US disclosed
US-20180028534-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 PHARM LLC (US) 2018-02-01 US disclosed
US-20180028534-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 PHARM LLC (US) 2018-02-01 US disclosed
US-9814713-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) 2017-11-14 US disclosed
US-9814713-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) 2017-11-14 US disclosed
US-20160256459-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 PHARM LLC (US) 2016-09-08 US disclosed
US-20160256459-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 PHARM LLC (US) 2016-09-08 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
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

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

For each of this compound's patents that has machine-readable text (7 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-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 BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-10226461-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 TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-20180028534-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 BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-20190167678-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 BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-10517873-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 TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-11241430-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 TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885
US-20160256459-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 BRD4 15/4885GAA 2836/4885L3MBTL1 4101/4885

“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.