SCHEMBL6469303

SCHEMBL6469303

CCOC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2cccnc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.67
GABRA1 P14867 2/20 0.44
GABRA5 P31644 2/20 0.44
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
PLCG1 P19174 1/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6464888 0.91 AR (0.77) ARTSHR
SCHEMBL6464361 0.90 AR (0.59) ARGABRA1GABRA5TDP2NSD2
SCHEMBL6469333 0.89 AR (0.66) AR
SCHEMBL6889299 0.88 AR (0.72) ARTSHR
SCHEMBL6465272 0.81 AR (1.00) AR
SCHEMBL6468830 0.79 AR (0.80) AR
SCHEMBL6465153 0.78 AR (0.76) ARTSHRMAPTTDP1
SCHEMBL6468911 0.78 AR (1.00) ARTSHRMAPTTDP1
SCHEMBL6464828 0.78 AR (0.77) AR
SCHEMBL6465312 0.77 AR (0.89) ARTSHRMAPTTDP1

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 6/4885GABRA1 1338/4885GABRA5 976/4885

“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.