SCHEMBL2104007

SCHEMBL2104007

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccc(Br)cc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
GSK3B P49841 1/20 0.42
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
MME P08473 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
TYR P14679 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14908958 0.92 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1529635 0.92 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2103699 0.87 NPC1 (0.42) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL14910225 0.82 KMT2A (0.49) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL14910227 0.82 KMT2A (0.49) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL674473 0.81 KMT2A (0.46) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1529640 0.81 KMT2A (0.46) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2103639 0.80 ALDH1A1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL20974359 0.80 KMT2A (0.53) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL20974467 0.80 KMT2A (0.53) MEN1NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 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-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-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
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 (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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 MEN1 1302/4885NPC1 835/4885RAB9A 1213/4885
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 MEN1 3252/4885NPC1 1862/4885RAB9A 3091/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MEN1 1302/4885NPC1 835/4885RAB9A 1213/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 MEN1 1475/4885NPC1 619/4885RAB9A 1283/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MEN1 1302/4885NPC1 835/4885RAB9A 1213/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 MEN1 1302/4885NPC1 835/4885RAB9A 1213/4885

“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.