SCHEMBL10293127

SCHEMBL10293127

Cc1ccccc1-c1cnc2c(c1)CCN2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.51
FEN1 P39748 4/20 0.50
ALOX5AP P20292 3/20 0.50
GRM5 P41594 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.47
PIK3CD O00329 1/20 0.46
NNMT P40261 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ADORA2A P29274 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
NPY5R Q15761 1/20 0.39
TRPA1 O75762 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL12843365 0.82 FEN1 (0.53) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL8385558 0.80 ASIC3 (0.61) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL8389157 0.77 ASIC3 (0.58) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL15730767 0.76 FEN1 (0.45) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL16195363 0.76 CYP11B2 (0.52) ASIC3FEN1ALOX5APPIK3C3NNMT
SCHEMBL12843362 0.76 ASIC3 (0.54) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL31504068 0.74 GRIA1 (0.56) CD274GRIA1CACNG8NISCHTRPA1
SCHEMBL13004738 0.73 ASIC3 (0.58) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL8385317 0.73 ASIC3 (0.57) ASIC3FEN1ALOX5APGRM5PIK3C3
SCHEMBL828125 0.72 NNMT (0.53) ASIC3FEN1ALOX5APGRM5PIK3C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885FEN1 2321/4885ALOX5AP 4050/4885

“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.