SCHEMBL3177974

SCHEMBL3177974

COc1cc(NC#N)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.41
ABCB1 P08183 2/20 0.41
ABCC1 P33527 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT1 P42224 1/20 0.39
PTK6 Q13882 1/20 0.39
TSHR P16473 1/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCQ Q04759 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL24670581 0.77 GRM4 (0.48) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL28385110 0.77 GRM4 (0.48) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL15476219 0.76 GRM4 (0.47) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL31276213 0.76 GRM4 (0.47) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL3177246 0.76 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2CYP2C19TSHR
SCHEMBL12555538 0.75 GRM4 (0.47) GRM4ABCG2ABCB1ABCC1ALDH1A1
Hydrochloric Acid SCHEMBL8202141 0.74 GRM4 (0.46) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL27261405 0.73 ALDH1A1 (0.51) GRM4ABCG2ABCB1ABCC1ALDH1A1
SCHEMBL30376409 0.72 AR (0.51) ALDH1A1MAPTL3MBTL1
SCHEMBL364484 0.72 AR (0.51) ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652062-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH LLC (US) 2010-01-26 US disclosed
CN-101287461-A Use of 5-amido-1h-pyrrole-2-nitrile derivative as progesterone receptor modulators WYETH CORP (US) 2008-10-15 CN disclosed
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910284-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth (US) 2008-04-16 EP disclosed
US-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2008-03-13 US disclosed
US-7297713-B2 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-20 US disclosed
WO-2007016211-A1 CYANOPYRROLE-PHENYL AMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US disclosed
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof WYETH (US) 2007-02-01 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-20080064673-A1 Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof PGR, GNRHR, PGRMC1 GRM4 854/4885ABCG2 1992/4885ABCB1 1214/4885
US-20070027125-A1 Cyanopyrrole-phenyl progesterone receptor modulators and uses thereof PGR, PGRMC1, PGRMC2 GRM4 832/4885ABCG2 1947/4885ABCB1 845/4885
US-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR GRM4 396/4885ABCG2 4515/4885ABCB1 3257/4885

“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.