SCHEMBL6466709

SCHEMBL6466709

Cc1c(C#N)c(-c2ccc(C#N)c3ccccc23)c(C)n1Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.62
CASP1 P29466 5/20 0.43
HSD17B10 Q99714 5/20 0.43
CASP7 P55210 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SLC22A12 Q96S37 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GNRHR P30968 1/20 0.40
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL6465272 0.77 AR (1.00) ARCASP1HSD17B10CASP7KDM4E
SCHEMBL6468892 0.74 AR (0.77) ARHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6465363 0.70 AR (0.76) ARCASP1HSD17B10CASP7KDM4E
SCHEMBL6464186 0.68 AR (0.81) ARHSD17B10ALDH1A1
SCHEMBL6464840 0.68 AR (0.78) ARPTGDR2
SCHEMBL30109090 0.68 SLC22A12 (0.51) KDM4EGLAGAASLC22A12
SCHEMBL6466418 0.67 AR (0.80) ARCASP1HSD17B10CASP7KDM4E
SCHEMBL6464828 0.67 AR (0.77) ARCASP1HSD17B10CASP7KDM4E
SCHEMBL4098033 0.67 AR (0.49) ARCASP1HSD17B10CASP7APP
SCHEMBL28265806 0.67 GUSB (0.52) KDM4EALDH1A1PTGDR2MEN1KMT2A

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 6/4885CASP1 4628/4885HSD17B10 377/4885

“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.