SCHEMBL6468342

SCHEMBL6468342

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.58
ADORA3 P0DMS8 5/20 0.44
ADORA2A P29274 5/20 0.44
ADORA2B P29275 5/20 0.44
ADORA1 P30542 5/20 0.44
SLC11A2 P49281 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP11B2 P19099 2/20 0.36
RIPK1 Q13546 1/20 0.35
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
SCHEMBL5357480 0.78 AR (0.61) ARCYP11B2CYP19A1
SCHEMBL5362232 0.78 AR (0.61) ARSLC11A2CYP11B2CYP19A1
SCHEMBL6468889 0.77 AR (0.86) ARCYP11B2CYP19A1
SCHEMBL6465872 0.77 AR (0.76) ARCYP11B2CYP19A1
SCHEMBL6466150 0.77 AR (0.69) ARCYP11B2CYP19A1
SCHEMBL6469428 0.76 AR (0.58) ARSLC11A2CYP11B2CYP19A1
SCHEMBL6466733 0.76 AR (0.60) ARSLC11A2CYP11B2CYP19A1
SCHEMBL6468311 0.76 AR (0.61) ARSLC11A2CYP11B2CYP19A1
SCHEMBL6466724 0.76 AR (0.58) ARSLC11A2CYP11B2CYP19A1
SCHEMBL5365843 0.76 AR (0.58) ARSLC11A2CYP11B2CYP19A1

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 6/4885ADORA3 610/4885ADORA2A 1171/4885

“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.