SCHEMBL6469658

SCHEMBL6469658

Cc1cn(Cc2cccnc2)cc1-c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
CYP11B2 P19099 10/20 0.47
CYP11B1 P15538 9/20 0.43
CYP19A1 P11511 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP17A1 P05093 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL6469473 0.80 AR (0.66) ARCYP11B2CYP11B1CYP19A1SQOR
SCHEMBL6890107 0.76 AR (0.58) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6884093 0.74 AR (0.58) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6465272 0.73 AR (1.00) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6464828 0.72 AR (0.77) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6464840 0.71 AR (0.78) ARCYP11B2CYP11B1
SCHEMBL6468334 0.71 AR (0.54) ARCYP11B2CYP11B1
SCHEMBL6464186 0.69 AR (0.81) ARCYP11B2CYP11B1MAPK1CYP3A4
SCHEMBL6466418 0.68 AR (0.80) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6465363 0.68 AR (0.76) ARCYP11B2CYP11B1CYP3A4

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 1 patent. 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

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 151/4885CYP11B1 145/4885

“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.