SCHEMBL6467003

SCHEMBL6467003

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccccn2)c1C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.72
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC11A2 P49281 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
PLA2G2A P14555 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 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
SCHEMBL6468098 0.88 AR (0.69) ARKDM4ETSHRHSP90AA1HSP90B1
SCHEMBL6469532 0.84 AR (0.67) ARTSHRPTGDR2HSP90AA1HSP90B1
SCHEMBL6468911 0.84 AR (1.00) ARALDH1A1TSHRSMN1; SMN2
SCHEMBL6465312 0.82 AR (0.89) ARKDM4ETSHRSMN1; SMN2PTGDR2
SCHEMBL6468830 0.82 AR (0.80) ARKDM4EPTGDR2HSP90AA1HSP90B1
SCHEMBL6464888 0.81 AR (0.77) ARKDM4ETSHRMAPK1PTGDR2
SCHEMBL6469318 0.80 AR (0.70) ARTSHRPTGDR2HSP90AA1HSP90B1
SCHEMBL6465292 0.79 AR (0.82) ARKDM4EALDH1A1TSHRMAPK1
SCHEMBL6468888 0.78 AR (0.73) ARKDM4ETSHRSMN1; SMN2PTGDR2
SCHEMBL6469763 0.78 AR (0.70) ARKDM4ETSHRSMN1; SMN2PTGDR2

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 6/4885KDM4E 1858/4885ALDH1A1 2144/4885

“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.