SCHEMBL6525379

SCHEMBL6525379

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.58
CYP19A1 P11511 8/20 0.37
PIN1 Q13526 1/20 0.35
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL5358210 0.91 AR (0.47) ARCYP19A1PIN1BAZ2BBAZ2A
SCHEMBL5362174 0.88 AR (0.44) ARCYP19A1PIN1
SCHEMBL5369671 0.84 AR (0.60) ARGRIA2GRIA4
SCHEMBL6466386 0.82 AR (0.58) ARCYP19A1BAZ2BBAZ2AGRIA2
SCHEMBL5365095 0.82 AR (0.65) ARCYP19A1GRIA2GRIA4
SCHEMBL5358573 0.79 AR (0.54) ARGRIA2GRIA4
SCHEMBL6466161 0.76 AR (0.58) ARGRIA2GRIA4
SCHEMBL6469428 0.71 AR (0.58) ARCYP19A1GRIA2GRIA4
SCHEMBL6466987 0.71 AR (0.58) ARGRIA2GRIA4
SCHEMBL5362232 0.71 AR (0.61) ARCYP19A1GRIA2GRIA4

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 6/4885CYP19A1 38/4885PIN1 1023/4885

“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.