SCHEMBL2104875

SCHEMBL2104875

CC(C)NC(=O)c1c[nH]c(-c2cc[c]cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
PDE2A O00408 8/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MLLT1 Q03111 1/20 0.35
XDH P47989 3/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL3462632 0.81 ADORA2A (0.46) CNR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3462453 0.79 HPGD (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3461765 0.78 TP53 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL3462200 0.77 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4404257 0.77 HSD11B1 (0.40) CNR1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL3461990 0.76 ADORA3 (0.30) ADORA3ADORA2A
SCHEMBL4395829 0.76 KDM4E (0.43) NPC1RAB9ASMN1; SMN2JAK2JAK1
SCHEMBL3461664 0.76 RAD52 (0.42) SMN1; SMN2ALDH1A1HTTALOX15
SCHEMBL4400239 0.75 PKN1 (0.34)
SCHEMBL3462543 0.75 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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-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
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CNR1 4121/4885PDE2A 3976/4885NPC1 835/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 CNR1 4151/4885PDE2A 3792/4885NPC1 619/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CNR1 4121/4885PDE2A 3976/4885NPC1 835/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CNR1 4121/4885PDE2A 3976/4885NPC1 835/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CNR1 4121/4885PDE2A 3976/4885NPC1 835/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CNR1 4151/4885PDE2A 3792/4885NPC1 619/4885

“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.