SCHEMBL79632

SCHEMBL79632

CC(=O)c1cc(-c2ccc(C#N)n2C)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.62
AR P10275 6/20 0.53

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
SCHEMBL78380 0.86 AR (0.58) PGRAR
SCHEMBL4612635 0.79 AR (0.56) PGRAR
SCHEMBL3181211 0.77 AR (0.69) PGRAR
SCHEMBL4423818 0.77 PGR (1.00) PGRAR
SCHEMBL78585 0.76 AR (0.53) PGRAR
SCHEMBL90503 0.76 KDM4E (0.38) PGR
SCHEMBL79633 0.74 AR (0.57) PGRAR
SCHEMBL3618305 0.74 KMT2A (0.65)
SCHEMBL4682798 0.73 PGR (0.64) PGRAR
SCHEMBL14739736 0.73 ALDH1A1 (0.40) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US claimed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US claimed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US claimed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP claimed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US claimed
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-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same 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-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 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
CN-1946716-B Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2011-12-21 CN 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
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP disclosed
CN-1946716-A Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH CORP (US) 2007-04-11 CN disclosed
EP-1756095-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME Wyeth (US) 2007-02-28 EP disclosed
WO-2005105739-A3 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2006-02-16 WO disclosed
WO-2005105739-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2005-11-10 WO disclosed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 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 (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-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH PGR 1697/4885AR 1796/4885
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB PGR 2282/4885AR 1929/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB PGR 2293/4885AR 1991/4885

“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.