SCHEMBL477893

SCHEMBL477893

COc1ccc(C#N)cc1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
P4HB P07237 2/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
SLC6A4 P31645 1/20 0.41
USP2 O75604 1/20 0.41
SLC6A9 P48067 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL5653240 0.87 AR (0.45) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL20855586 0.85 AR (0.50) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL30468153 0.85 AR (0.50) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL546183 0.85 AR (0.50) ARALDH1A1MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL10984138 0.83 AR (0.49) ARALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL29546482 0.83 AR (0.49) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL385459 0.83 AR (0.49) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL23069420 0.83 CTSD (0.55) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL29546299 0.83 CTSD (0.55) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL16955916 0.81 AR (0.53) ARALDH1A1MAPTMEN1KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 US disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US disclosed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP disclosed
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 US disclosed
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP 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 (2 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-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA AR 1211/4885ALDH1A1 3717/4885MAPT 99/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA AR 1211/4885ALDH1A1 3717/4885MAPT 99/4885

“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.