SCHEMBL2630644

SCHEMBL2630644

CCOC(=O)c1nc(-c2ccc(CC(CCCC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)NC(=O)OC(C)(C)C)cc2)cn1CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTPRB P23467 1/20 0.35
APP P05067 3/20 0.34
TSHR P16473 1/20 0.34
ADORA1 P30542 1/20 0.34
SYK P43405 1/20 0.33
CYP3A4 P08684 6/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABCB1 P08183 1/20 0.32
KLK5 Q9Y337 1/20 0.32

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
SCHEMBL10269479 0.95 ATM (0.37) ATMCTSSCTSKPTPRBAPP
SCHEMBL13612571 0.93 ATM (0.36) ATMCTSSCTSKPTPRBAPP
SCHEMBL2630530 0.92 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL13637267 0.92 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL14050207 0.89 KDM4E (0.31) TSHRALDH1A1
SCHEMBL2630586 0.87 ATM (0.39) ATMCTSSCTSKPTPRBAPP
SCHEMBL13643257 0.85 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL2617443 0.85 ATM (0.38) ATMCTSSCTSKPTPRBAPP
SCHEMBL14873596 0.85 ATM (0.41) ATMCTSSCTSKPTPRBAPP
SCHEMBL2631766 0.84 ATM (0.40) 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 12 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-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-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 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
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (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-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 ATM 1054/4885CTSS 1713/4885CTSK 1684/4885
US-20090286841-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
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885

“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.