SCHEMBL6465272

SCHEMBL6465272

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 1.00
CYP11B2 P19099 5/20 0.47
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 3/20 0.39
PDE9A O76083 1/20 0.39
PDE1C Q14123 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP17A1 P05093 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
SCHEMBL6464186 0.90 AR (0.81) ARCYP11B2CYP3A4CYP11B1PDE9A
SCHEMBL6466418 0.89 AR (0.80) ARCYP11B2CYP3A4CYP11B1PDE9A
SCHEMBL6464840 0.88 AR (0.78) ARCYP11B2CYP11B1PDE9APDE1C
SCHEMBL6468892 0.87 AR (0.77) ARCYP11B2CYP3A4CYP11B1KDM4E
SCHEMBL6464828 0.87 AR (0.77) ARCYP11B2CYP3A4CYP11B1KDM4E
SCHEMBL6465363 0.87 AR (0.76) ARCYP11B2CYP3A4CYP11B1PDE9A
SCHEMBL6464451 0.85 AR (0.80) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6465872 0.85 AR (0.76) ARCYP11B2CYP11B1PDE9APDE1C
SCHEMBL6889299 0.84 AR (0.72) ARCYP11B2
SCHEMBL6464131 0.84 AR (0.80) ARCYP11B2CYP11B1CYP19A1

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 4 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 claimed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
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 151/4885CYP3A4 2149/4885

“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.