SCHEMBL4492335

SCHEMBL4492335

CCc1c(-c2ccc(C#N)cc2)[nH]c(C=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
AR P10275 1/20 0.38
IGF1R P08069 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
ABCB1 P08183 1/20 0.36
HPGD P15428 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
SCHEMBL4494571 0.90 RAB9A (0.50) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4484660 0.89 RAB9A (0.41) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4490038 0.86 NPC1 (0.49) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4485825 0.85 RAB9A (0.44) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4485662 0.85 GCGR (0.48) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4491977 0.83 AR (0.46) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4494081 0.81 RAB9A (0.47) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4486128 0.80 KMT2A (0.52) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4492326 0.80 RAB9A (0.51) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4502843 0.79 RAB9A (0.49) RAB9ANPSR1MAPTSTAT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP claimed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US claimed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP claimed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO claimed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 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 (1 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-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 RAB9A 2642/4885NPSR1 376/4885MAPT 2055/4885

“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.