SCHEMBL4611503

SCHEMBL4611503

Cn1c(C#N)ccc1-c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.71
PGR P06401 4/20 0.59
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4598733 0.93 AR (0.62) ARPGRPDE3BPDE3AGLA
SCHEMBL4609829 0.81 AR (0.69) ARPGR
SCHEMBL4599378 0.80 AR (0.68) ARPGR
SCHEMBL5134214 0.76 PGR (0.80) ARPGRPDE3BPDE3A
SCHEMBL5047714 0.75 AR (0.60) ARPGR
SCHEMBL4611754 0.74 PGR (1.00) ARPGRPDE3BPDE3A
SCHEMBL4611343 0.74 PGR (0.75) ARPGRPDE3BPDE3A
Water SCHEMBL20506731 0.73 TSHR (0.95) ARPDE3BPDE3AGLAPOLB
SCHEMBL4610587 0.72 PGR (0.86) ARPGRPDE3BPDE3A
SCHEMBL109685 0.71 TSHR (1.00) ARPDE3BPDE3AGLAPOLB

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
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP claimed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO claimed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US claimed
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910285-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
US-7291643-B2 Cyanopyrrole-sulfonamide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-06 US disclosed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE 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-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy 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 (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-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR AR 28/4885PGR 2/4885PDE3B 675/4885
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy GNRHR, PGR, PRLHR AR 165/4885PGR 2/4885PDE3B 1145/4885

“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.