SCHEMBL12843365

SCHEMBL12843365

Oc1ccccc1-c1cnc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.53
ALOX5AP P20292 4/20 0.53
ASIC3 Q9UHC3 1/20 0.51
GRM5 P41594 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.47
NNMT P40261 2/20 0.46
PIK3CD O00329 1/20 0.46
IDO1 P14902 1/20 0.41
ABL1 P00519 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CHEK1 O14757 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CCNB2 O95067 1/20 0.36

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
SCHEMBL10293127 0.82 ASIC3 (0.51) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL8385558 0.80 ASIC3 (0.61) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL12843362 0.79 ASIC3 (0.54) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL27466773 0.74 DRD2 (0.54) PIK3CDIDO1MAPKAPK2QPCTQPCTL
SCHEMBL31359591 0.73 ALDH1A1 (0.40) FEN1ALOX5APGRM5IDO1CHEK1
SCHEMBL27682801 0.73 ALDH1A1 (0.43) FEN1ALOX5APIDO1CHEK1QPCT
SCHEMBL8385317 0.73 ASIC3 (0.57) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL21573715 0.72 NNMT (0.57) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL10293323 0.71 ASIC3 (0.62) FEN1ALOX5APASIC3GRM5PIK3C3
SCHEMBL8388712 0.71 ASIC3 (0.62) FEN1ALOX5APASIC3GRM5PIK3C3

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-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 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-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FEN1 2321/4885ALOX5AP 4050/4885ASIC3 4358/4885

“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.