SCHEMBL4110197

SCHEMBL4110197

CNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
AR P10275 18/20 0.44
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4960107 0.89 AR (0.47) AR
SCHEMBL4112533 0.88 PGR (0.48) PGRAR
SCHEMBL4106340 0.87 PGR (0.47) PGRAR
SCHEMBL4102713 0.82 PGR (0.64) PGR
SCHEMBL4106028 0.80 AR (0.46) AR
SCHEMBL4109845 0.79 PGR (0.44) PGRAR
SCHEMBL4098285 0.79 PGR (0.48) PGRAR
SCHEMBL4107682 0.79 PGR (0.46) PGR
SCHEMBL4959655 0.77 MRGPRX4 (0.39) PGRAR
SCHEMBL4959670 0.75 MRGPRX4 (0.39) PGRAR

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 3 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
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 57/4885AR 387/4885BRAF 4107/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885AR 400/4885BRAF 4141/4885

“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.