SCHEMBL6465872

SCHEMBL6465872

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.76
RIPK3 Q9Y572 1/20 0.44
CYP19A1 P11511 3/20 0.44
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 4/20 0.44
CNR1 P21554 3/20 0.43
PDE9A O76083 1/20 0.39
PDE1C Q14123 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
SCHEMBL6468889 0.90 AR (0.86) ARCYP19A1CYP11B2CYP11B1PDE9A
SCHEMBL24414502 0.86 AR (0.80) ARCYP19A1CYP11B2CYP11B1CNR1
SCHEMBL6465272 0.85 AR (1.00) ARCYP19A1CYP11B2CYP11B1PDE9A
SCHEMBL24411064 0.84 AR (0.76) ARCYP19A1CYP11B2CYP11B1PDE9A
SCHEMBL21996432 0.84 AR (0.76) ARCYP19A1CYP11B2CYP11B1PDE9A
SCHEMBL24411088 0.84 AR (0.76) ARCYP19A1CYP11B2CYP11B1PDE9A
SCHEMBL6464131 0.83 AR (0.80) ARCYP19A1CYP11B2CYP11B1
SCHEMBL6468311 0.82 AR (0.61) ARRIPK3CYP19A1CYP11B2
SCHEMBL20051520 0.82 AR (0.72) ARCYP19A1
SCHEMBL20051214 0.82 AR (0.72) ARCYP19A1CYP11B2CYP11B1PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 (1 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885RIPK3 1877/4885CYP19A1 38/4885

“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.