SCHEMBL4098122

SCHEMBL4098122

Cc1[nH]nc(C2CC2)c1Oc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
NAAA Q02083 1/20 0.42
LRRK2 Q5S007 3/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
DHODH Q02127 1/20 0.38
FASN P49327 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
ENPP1 P22413 1/20 0.36
XIAP P98170 1/20 0.36
CYP19A1 P11511 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
SCHEMBL5176401 0.86 KCNH2 (0.47) PGRNAAALRRK2FASNENPP3
SCHEMBL4104449 0.85 PGR (0.40) PGRLRRK2CYP11B1CYP11B2FASN
SCHEMBL508704 0.83 KCNH2 (0.52) PGRNAAALRRK2FASNENPP3
SCHEMBL4104852 0.80 ENPP3 (0.55) PGRNAAACYP11B1CYP11B2DHODH
SCHEMBL509046 0.71 KCNH2 (0.45) LRRK2CYP11B1CYP11B2FASN
SCHEMBL4751277 0.71 AR (0.40) FASNHRH3
SCHEMBL4105432 0.71 AR (0.38) LRRK2HRH3
SCHEMBL4812237 0.70 KCNH2 (0.67) PGR
SCHEMBL4105032 0.68 LRRK2 (0.37) LRRK2FASN
SCHEMBL4748718 0.68 PKM (0.35) LRRK2

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 57/4885NAAA 3745/4885LRRK2 3396/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885NAAA 3904/4885LRRK2 3140/4885

“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.