SCHEMBL4098180

SCHEMBL4098180

CCc1nn(Cc2nnc(C)[nH]2)c(CC)c1Oc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.40
KCNH2 Q12809 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP11B2 P19099 2/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 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
SCHEMBL4098163 0.84 PGR (0.42) PGRKCNH2PTGDR2CYP11B2CYP19A1
SCHEMBL4115324 0.83 PGR (0.49) PGRKCNH2KDM4ECYP11B2CYP19A1
SCHEMBL13889243 0.82 PGR (0.42) PGRKCNH2PTGDR2CYP11B2CYP19A1
SCHEMBL4099499 0.81 PGR (0.40) PGRKCNH2PTGDR2KDM4ECYP11B2
SCHEMBL4098757 0.81 PGR (0.47) PGRKCNH2KDM4ECYP11B2CYP19A1
SCHEMBL4114480 0.80 PGR (0.40) PGRKCNH2PTGDR2KDM4ECYP11B2
SCHEMBL4106530 0.79 PGR (0.49) PGRKCNH2KDM4ECYP11B2CYP19A1
Iodide SCHEMBL4960906 0.79 PGR (0.39) PGRKCNH2PTGDR2KDM4ECYP11B2
SCHEMBL4110446 0.79 PGR (0.42) PGRKCNH2PTGDR2CYP11B2CYP19A1
SCHEMBL4104410 0.78 PGR (0.42) PGRKCNH2PTGDR2CYP11B2CYP19A1

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 7 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-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
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 57/4885KCNH2 984/4885PTGDR2 58/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885KCNH2 1091/4885PTGDR2 77/4885

“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.