SCHEMBL12961046

SCHEMBL12961046

COc1ccc(-c2cnc3c(c2)CCN3)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.57
ALOX5AP P20292 3/20 0.49
FEN1 P39748 3/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP2A6 P11509 1/20 0.43
GRM5 P41594 1/20 0.43
PIK3CD O00329 2/20 0.42
ABL1 P00519 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NNMT P40261 1/20 0.41
PIK3CA P42336 2/20 0.41
FYN P06241 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL10293281 0.81 ASIC3 (0.54) ASIC3ALOX5APFEN1PIK3C3GRM5
SCHEMBL9966318 0.77 PIK3C3 (0.45) ASIC3ALOX5APFEN1PIK3C3ABL1
SCHEMBL10293323 0.76 ASIC3 (0.62) ASIC3ALOX5APFEN1PIK3C3PDGFRB
SCHEMBL8388712 0.76 ASIC3 (0.62) ASIC3ALOX5APFEN1PIK3C3PDGFRB
SCHEMBL8386135 0.76 ASIC3 (0.52) ASIC3ALOX5APFEN1PIK3C3GRM5
SCHEMBL9908591 0.76 ASIC3 (0.49) ASIC3ALOX5APFEN1PIK3C3GRM5
SCHEMBL13004738 0.75 ASIC3 (0.58) ASIC3ALOX5APFEN1PIK3C3PDGFRB
SCHEMBL13533930 0.75 ASIC3 (0.58) ASIC3ALOX5APFEN1PIK3C3PDGFRB
SCHEMBL8385558 0.75 ASIC3 (0.61) ASIC3ALOX5APFEN1PIK3C3PDGFRB
SCHEMBL8385317 0.75 ASIC3 (0.57) ASIC3ALOX5APFEN1PIK3C3CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 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 (3 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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885ALOX5AP 4050/4885FEN1 2321/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885ALOX5AP 4050/4885FEN1 2321/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885ALOX5AP 4050/4885FEN1 2321/4885

“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.