SCHEMBL5695525

SCHEMBL5695525

CC(C)(C)N1CCNC(C(N)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.42
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 1/20 0.32
▸ GLI1 P08151 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL18820343 1.00 CCR2 (0.42) CCR2ATMMAPTGLI1EIF2AK4
SCHEMBL18806175 1.00 CCR2 (0.42) CCR2ATMMAPTGLI1EIF2AK4
SCHEMBL12312791 0.84 CCR2 (0.43) CCR2ATMMAPT
SCHEMBL18806176 0.82 CCR2 (0.37) CCR2ATM
SCHEMBL18774637 0.82 CCR2 (0.37) CCR2ATM
SCHEMBL1938457 0.79 CCR2 (0.46) CCR2ATM
SCHEMBL12312784 0.79 CCR2 (0.43) CCR2ATMMAPTSCN9A
SCHEMBL12312783 0.79 CCR2 (0.43) CCR2ATM
SCHEMBL12312782 0.78 CCR2 (0.42) CCR2
SCHEMBL293499 0.76 CCR2 (0.38) CCR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10555941-B2 Alkyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2020-02-11 — — US disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 — — US disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 — — US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 — — US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 — — US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 — — US disclosed
US-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 — — US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 — — US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 — — US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 — — US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 — — US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 — — US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 — — US disclosed
EP-1664030-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-07 — — EP disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 — — 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 (9 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-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, TIMP3 CCR2 281/4885ATM 3791/4885MAPT 4499/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CCR2 1020/4885ATM 3930/4885MAPT 4731/4885
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt RORC, RORB, RORA CCR2 188/4885ATM 4820/4885MAPT 2087/4885
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 CCR2 337/4885ATM 965/4885MAPT 2960/4885
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 CCR2 4435/4885ATM 301/4885MAPT 857/4885
US-10555941-B2 Alkyl linked quinolinyl modulators of RORγt RORC, RORB, RORA CCR2 188/4885ATM 4820/4885MAPT 2087/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA CCR2 219/4885ATM 4865/4885MAPT 1946/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CCR2 2766/4885ATM 573/4885MAPT 251/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CCR2 259/4885ATM 4870/4885MAPT 2335/4885

“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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