SCHEMBL6466161

SCHEMBL6466161

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.58
SLC11A2 P49281 1/20 0.35
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TNK2 Q07912 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL6466724 0.80 AR (0.58) ARSLC11A2GRIA2GRIA4
SCHEMBL5369671 0.78 AR (0.60) ARSLC11A2GRIA2GRIA4NPSR1
SCHEMBL6466386 0.78 AR (0.58) ARSLC11A2GRIA2GRIA4
SCHEMBL5365095 0.76 AR (0.65) ARGRIA2GRIA4PDE9APDE1C
SCHEMBL6525379 0.76 AR (0.58) ARGRIA2GRIA4
SCHEMBL5358573 0.73 AR (0.54) ARGRIA2GRIA4ALDH1A1
SCHEMBL5474477 0.72 AR (0.57) ARSLC11A2PTGDR2
SCHEMBL5365605 0.72 AR (0.56) ARSLC11A2TNK2
SCHEMBL6468889 0.71 AR (0.86) ARPDE9APDE1CALDH1A1
SCHEMBL6465872 0.70 AR (0.76) ARPDE9APDE1C

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 6/4885SLC11A2 441/4885GRIA2 715/4885

“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.