SCHEMBL6466724

SCHEMBL6466724

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1nccn1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.58
RIPK3 Q9Y572 1/20 0.39
GAA P10253 1/20 0.38
MYC P01106 1/20 0.38
CYP11B2 P19099 2/20 0.37
NSD2 O96028 2/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
SLC11A2 P49281 1/20 0.35
KDM1A O60341 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL6466161 0.80 AR (0.58) ARGRIA2GRIA4SLC11A2
SCHEMBL5357480 0.78 AR (0.61) ARCYP11B2NSD2GRIA2GRIA4
SCHEMBL6468889 0.77 AR (0.86) ARCYP11B2CYP19A1
SCHEMBL6465872 0.77 AR (0.76) ARRIPK3CYP11B2CYP19A1
SCHEMBL5474477 0.77 AR (0.57) ARCYP11B2SLC11A2KDM1A
SCHEMBL6466150 0.77 AR (0.69) ARRIPK3CYP11B2CYP19A1
SCHEMBL5366353 0.77 AR (0.60) ARCYP11B2GRIA2GRIA4KDM1A
SCHEMBL5364207 0.76 AR (0.60) AR
SCHEMBL5365605 0.76 AR (0.56) ARCYP11B2SLC11A2KDM1A
SCHEMBL22281553 0.76 AR (0.57) AR

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 6/4885RIPK3 1877/4885GAA 4752/4885

“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.