SCHEMBL4097676

SCHEMBL4097676

CCc1c(Oc2ccc(C#N)cc2)c(C)nn1Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.45
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP19A1 P11511 2/20 0.34
AR P10275 1/20 0.33
TBXAS1 P24557 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32
TTBK2 Q6IQ55 1/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.31

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
SCHEMBL13889243 0.91 PGR (0.42) PGRADORA3ADORA2AADORA2BADORA1
SCHEMBL4098180 0.74 PGR (0.40) PGRCYP19A1KDM4ECYP11B2CYP11B1
SCHEMBL4098163 0.74 PGR (0.42) PGRCYP19A1CYP11B2CYP11B1
SCHEMBL4098757 0.71 PGR (0.47) PGRCYP19A1KDM4ECYP11B2CYP11B1
SCHEMBL4115324 0.70 PGR (0.49) PGRCYP19A1KDM4ECYP11B2
SCHEMBL4110446 0.70 PGR (0.42) PGRCYP19A1CYP11B2CYP11B1
SCHEMBL4108120 0.70 PGR (0.40) PGRCYP19A1CYP11B2CYP11B1
SCHEMBL4104251 0.69 PGR (0.40) PGRALOX15
SCHEMBL4112060 0.69 PGR (0.42) PGRTBXAS1CYP11B2
SCHEMBL11760408 0.69 MAOB (0.49) ADORA3ADORA2AADORA2BADORA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885ADORA3 573/4885ADORA2A 1840/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885ADORA3 486/4885ADORA2A 1715/4885

“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.