SCHEMBL2104786

SCHEMBL2104786

CC(C)Oc1ccc(C(=O)NC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ PARP10 Q53GL7 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ TP53 P04637 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ ALPG P10696 1/20 0.49

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
SCHEMBL11665996 0.81 CA1 (0.61) KMT2AALDH1A1RAB9ANPC1MAPT
SCHEMBL11038788 0.80 ALDH1A1 (0.41) KMT2AALDH1A1RAB9ANPC1MAPT
SCHEMBL17099935 0.79 CA1 (0.59) KMT2AALDH1A1RAB9ANPC1MAPT
SCHEMBL8574836 0.79 HPGD (0.66) KMT2APARP10ALDH1A1RAB9ANPC1
SCHEMBL14880133 0.79 ALOX15 (0.68) KMT2APARP10ALDH1A1RAB9ANPC1
SCHEMBL10121189 0.79 KMT2A (0.63) KMT2APARP10ALDH1A1RAB9ANPC1
SCHEMBL11350809 0.78 GLA (0.59) KMT2AALDH1A1RAB9ANPC1MAPT
SCHEMBL2104776 0.77 KMT2A (0.61) KMT2APARP10ALDH1A1RAB9ANPC1
SCHEMBL4719057 0.77 CA1 (0.65) KMT2APARP10ALDH1A1RAB9ANPC1
SCHEMBL13753315 0.75 NR1H4 (0.61) KMT2APARP10ALDH1A1RAB9ANPC1

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-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-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-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 KMT2A 175/4885PARP10 1320/4885ALDH1A1 1729/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 KMT2A 1491/4885PARP10 1022/4885ALDH1A1 1977/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 KMT2A 1491/4885PARP10 1022/4885ALDH1A1 1977/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KMT2A 1501/4885PARP10 958/4885ALDH1A1 2159/4885

“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.

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