SCHEMBL6466910

SCHEMBL6466910

COC(=O)c1c(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)n(Cc2ccc(Cl)nc2)c1C

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.77
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NSD2 O96028 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL6465295 0.88 AR (0.84) ARRXRARXRBRXRGPGR
SCHEMBL6469615 0.88 AR (0.84) ARRXRARXRBRXRGPGR
SCHEMBL6469617 0.87 AR (1.00) ARRXRARXRBRXRGPGR
SCHEMBL6469624 0.86 AR (0.81) ARRXRARXRBRXRGPGR
SCHEMBL6468888 0.83 AR (0.73) ARKMT2A
SCHEMBL6467875 0.79 AR (0.69) ARRXRARXRBRXRGNSD2
SCHEMBL6468078 0.77 AR (0.66) ARKMT2A
SCHEMBL3081289 0.76 AR (0.54) ARRXRARXRBRXRGNSD2
SCHEMBL6465913 0.76 AR (0.76) ARNSD2PGR
SCHEMBL6465994 0.75 AR (0.79) ARNSD2

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 6/4885KMT2A 2015/4885RXRA 786/4885

“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.