SCHEMBL6464882

SCHEMBL6464882

CCc1[nH]c(CC)c(-c2ccc(C#N)cc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.43
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.40
MMP2 P08253 3/20 0.39
MMP3 P08254 1/20 0.39
CSNK1E P49674 2/20 0.38
CYP2A6 P11509 1/20 0.38
PGR P06401 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CASP1 P29466 1/20 0.36
CSNK1D P48730 1/20 0.36
AR P10275 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6466967 0.89 MAP2 (0.42) MAP2GRIA2GRIA4ALDH1A1GAA
SCHEMBL6469338 0.87 GRIA2 (0.48) MAP2GRIA2GRIA4ALDH1A1GAA
SCHEMBL6466109 0.84 ALDH1A1 (0.59) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4919125 0.80 GRIA2 (0.46) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4921193 0.77 GRIA2 (0.46) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL6466743 0.76 CYP2A6 (0.44) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL6467825 0.75 KMT2A (0.47) MAP2ALDH1A1GAAHPGDPARP1
SCHEMBL6468391 0.74 ALDH1A1 (0.57) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL5351989 0.71 ALDH1A1 (0.43) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4922378 0.71 AR (0.43) GRIA2GRIA4ALDH1A1GAAHPGD

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 MAP2 4709/4885GRIA2 715/4885GRIA4 665/4885

“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.