SCHEMBL6469428

SCHEMBL6469428

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1c[nH]nn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
CYP11B2 P19099 3/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
SLC11A2 P49281 1/20 0.33
CYP19A1 P11511 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CYP11B1 P15538 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL14347623 0.85 AR (0.42) ARCYP11B2CCNCCDK8
SCHEMBL5362232 0.82 AR (0.61) ARCYP11B2CCNCCDK8GRIA2
SCHEMBL6466733 0.81 AR (0.60) ARCYP11B2GRIA2GRIA4SLC11A2
SCHEMBL14348315 0.80 CYP11B2 (0.40) ARCYP11B2CCNCCDK8CYP19A1
SCHEMBL5362087 0.79 AR (0.60) ARCYP11B2CCNCCDK8GRIA2
SCHEMBL14347754 0.79 CYP11B2 (0.40) ARCYP11B2CCNCCDK8CYP11B1
SCHEMBL14347634 0.79 AR (0.51) ARCYP11B2CYP19A1CYP11B1
SCHEMBL5365892 0.78 AR (0.65) ARCYP11B2CCNCCDK8CYP19A1
SCHEMBL5368784 0.78 AR (0.58) ARCYP11B2CCNCCDK8GRIA2
SCHEMBL6468889 0.77 AR (0.86) ARCYP11B2CCNCCDK8CYP19A1

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 6/4885CYP11B2 151/4885CCNC 1094/4885

“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.