SCHEMBL2631766

SCHEMBL2631766

CC(=O)c1nc(-c2ccc(C[C@@H](CCCC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)NC(=O)OC(C)(C)C)cc2)cn1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
PTPRB P23467 1/20 0.37
APP P05067 4/20 0.36
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
CYP3A4 P08684 5/20 0.34
AKT1 P31749 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
BCL2 P10415 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL14873596 0.94 ATM (0.41) ATMCTSSCTSKPTPRBAPP
SCHEMBL13637267 0.91 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL2630530 0.91 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL2631416 0.90 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL10269479 0.85 ATM (0.37) ATMCTSSCTSKPTPRBAPP
SCHEMBL2617425 0.84 ATM (0.40) ATMCTSSCTSKPTPRBAPP
SCHEMBL13430535 0.84 ATM (0.40) ATMCTSSCTSKPTPRBAPP
SCHEMBL2630644 0.84 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL2617431 0.84 ATM (0.41) ATMCTSSCTSKPTPRBAPP
SCHEMBL10215116 0.84 ATM (0.41) ATMCTSSCTSKPTPRBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 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 (5 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 ATM 1054/4885CTSS 1713/4885CTSK 1684/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 ATM 1054/4885CTSS 1713/4885CTSK 1684/4885

“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.