SCHEMBL4104401

SCHEMBL4104401

CCc1nn(Cc2cccnc2)c(CC)c1Oc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
AR P10275 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 2/20 0.42
PGR P06401 9/20 0.40
SCN9A Q15858 1/20 0.38
HIF1A Q16665 2/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4104410 0.88 PGR (0.42) CYP19A1CYP11B1CYP11B2PGR
SCHEMBL4110446 0.87 PGR (0.42) CYP19A1CYP11B1CYP11B2PGR
SCHEMBL4115324 0.82 PGR (0.49) CYP19A1CYP11B2PGR
SCHEMBL4108120 0.80 PGR (0.40) CYP19A1CYP11B1CYP11B2PGRSCN9A
SCHEMBL4098757 0.80 PGR (0.47) CYP19A1CYP11B1CYP11B2PGR
SCHEMBL4112135 0.79 PGR (0.40) CYP19A1CYP11B1CYP11B2PGR
SCHEMBL4106530 0.79 PGR (0.49) CYP19A1CYP11B1CYP11B2PGR
SCHEMBL4110026 0.78 PGR (0.40) CYP19A1CYP11B2PGRSCN9A
SCHEMBL4112060 0.77 PGR (0.42) CYP11B2PGR
SCHEMBL13889243 0.77 PGR (0.42) CYP19A1CYP11B2PGR

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 CYP19A1 22/4885AR 387/4885CYP11B1 413/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 CYP19A1 36/4885AR 400/4885CYP11B1 476/4885

“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.