SCHEMBL91097

SCHEMBL91097

Cn1c(C#N)ccc1B(O)c1ccc(C#N)n1C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.46
PGR P06401 7/20 0.41

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
SCHEMBL5158088 0.73
SCHEMBL4679923 0.71 AR (0.42) ARPGR
SCHEMBL2955486 0.69
SCHEMBL21414018 0.68 AR (0.43) ARPGR
SCHEMBL4275644 0.67
SCHEMBL91095 0.67
SCHEMBL6653296 0.67 AR (0.46) ARPGR
SCHEMBL22366363 0.66 PGR (0.47) ARPGR
SCHEMBL5502022 0.64 AR (0.38) ARPGR
SCHEMBL22319938 0.64 AR (0.43) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129523-B2 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH LLC (US) 2012-03-06 US disclosed
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US disclosed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US disclosed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US disclosed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US disclosed
US-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US disclosed
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS WYETH (US) 2009-02-26 US disclosed
US-7446211-B2 Reacting 1-methylpyrrole-2-carbonitrile with triisopropylborate in presence of lithium diisopropyl amine to produce (5-cyano-1-methyl-1H-pyrrol-2-yl) boronic acid WYETH (US) 2008-11-04 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 (3 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-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS BOLA2; BOLA2B, BRI3BP, BROX AR 3276/4885PGR 1401/4885
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB AR 1929/4885PGR 2282/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB AR 1991/4885PGR 2293/4885

“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.