SCHEMBL6469792

SCHEMBL6469792

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.63
EGLN2 Q96KS0 1/20 0.43
CACNA1H O95180 1/20 0.40
NAMPT P43490 1/20 0.39
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
RIPK3 Q9Y572 1/20 0.39
DEGS1 O15121 1/20 0.38
HDAC1 Q13547 1/20 0.38
PORCN Q9H237 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
SCHEMBL6465983 0.88 AR (0.66) ARDEGS1PORCN
SCHEMBL6469801 0.80 AR (0.66) AREGLN2FNTAFNTB
SCHEMBL6464451 0.78 AR (0.80) AR
SCHEMBL6464529 0.78 AR (0.69) AR
SCHEMBL6889350 0.78 AR (0.69) AR
SCHEMBL6468113 0.78 AR (0.71) ARFNTAFNTB
SCHEMBL6888241 0.78 AR (0.69) AR
SCHEMBL6465291 0.78 AR (1.00) AR
SCHEMBL15057350 0.76 EGLN2 (0.50) EGLN2DEGS1PORCN
SCHEMBL6891066 0.76 AR (0.66) ARFNTAFNTB

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 6/4885EGLN2 601/4885CACNA1H 4523/4885

“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.