SCHEMBL3462706

SCHEMBL3462706

COc1cccc(NC(=O)c2c[nH]c(-c3cc[c]cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 2/20 0.48
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL4395829 0.77 KDM4E (0.43) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2104875 0.74 CNR1 (0.39) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL3462453 0.72 HPGD (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3461990 0.72 ADORA3 (0.30)
SCHEMBL3467068 0.72 SMN1; SMN2 (0.59) KMT2AMEN1THRBSMN1; SMN2ALDH1A1
SCHEMBL3462200 0.70 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL23758256 0.70 ADORA3 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL724015 0.70 CNR2 (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2527996 0.70 GRM4 (1.00) GRM4KMT2AMEN1THRBSMN1; SMN2
SCHEMBL23758259 0.70 ADORA3 (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 14 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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 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-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-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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US disclosed
US-20060094708-A1 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, INCORPORATED 2006-05-04 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 (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-20060094708-A1 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 KIF5B, KIF18A, KIF2C GRM4 3441/4885KMT2A 175/4885MEN1 3252/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 GRM4 3865/4885KMT2A 1491/4885MEN1 1475/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 GRM4 3865/4885KMT2A 1491/4885MEN1 1475/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 GRM4 3896/4885KMT2A 1501/4885MEN1 1302/4885

“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.