SCHEMBL61611

SCHEMBL61611

N#Cc1cc[nH]c1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.40
MCL1 Q07820 1/20 0.36
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 2/20 0.34
UPP1 Q16831 1/20 0.31
CHEK1 O14757 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL5174113 0.70
SCHEMBL2787313 0.67
SCHEMBL3660115 0.65
SCHEMBL8614804 0.65
SCHEMBL8617390 0.65
SCHEMBL29127602 0.65
SCHEMBL12728673 0.65
SCHEMBL194923 0.65
SCHEMBL10444917 0.65
SCHEMBL63703 0.65 ENPP2 (0.35) ENPP2IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-09-16 US claimed
US-7750038-B2 Sulfonylated heterocycles useful for modulation of the progesterone receptor WYETH LLC (US) 2010-07-06 US claimed
EP-2121657-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-11-25 EP claimed
WO-2008109056-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO claimed
US-20080221160-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-11 US claimed
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
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP disclosed
US-20080051585-A1 Process for the preparation of indolin-2-one derivatives useful as PR modulators WYETH (US) 2008-02-28 US disclosed
WO-2008021422-A2 PROCESS FOR THE PREPARATION OF INDOLIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH (US) 2005-12-08 US disclosed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 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 (8 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-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH ENPP2 4034/4885MCL1 2582/4885IMPDH2 1884/4885
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS BOLA2; BOLA2B, BRI3BP, BROX ENPP2 2643/4885MCL1 2502/4885IMPDH2 1036/4885
US-20080221160-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR GNRHR, FSHR, PRLHR ENPP2 3267/4885MCL1 2021/4885IMPDH2 4862/4885
US-20080051585-A1 Process for the preparation of indolin-2-one derivatives useful as PR modulators IDO1, INMT, PIR ENPP2 3506/4885MCL1 58/4885IMPDH2 12/4885
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB ENPP2 3805/4885MCL1 2097/4885IMPDH2 1832/4885
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor GNRHR, FSHR, PRLHR ENPP2 3267/4885MCL1 2021/4885IMPDH2 4862/4885
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls BOLA2; BOLA2B, BRI3BP, BROX ENPP2 2643/4885MCL1 2502/4885IMPDH2 1036/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB ENPP2 3776/4885MCL1 2174/4885IMPDH2 1864/4885

“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.