SCHEMBL9908591

SCHEMBL9908591

COCCCc1ccc(-c2cnc3c(c2)CCN3)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.43
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.37
GRM5 P41594 1/20 0.37
NNMT P40261 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB6 P18564 1/20 0.36
ADORA2A P29274 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
PDE2A O00408 1/20 0.32
PDE8A O60658 1/20 0.32
PDE5A O76074 1/20 0.32
PDE9A O76083 1/20 0.32
PDE6A P16499 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL8386135 0.79 ASIC3 (0.52) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL12961046 0.76 ASIC3 (0.57) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL12843909 0.73 ASIC3 (0.53) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL10293281 0.71 ASIC3 (0.54) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL294515 0.71 BRD4 (0.51) PIK3CDABL1SYK
SCHEMBL10293323 0.69 ASIC3 (0.62) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL8388712 0.69 ASIC3 (0.62) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL13004738 0.69 ASIC3 (0.58) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL13533930 0.69 ASIC3 (0.58) ASIC3PIK3C3ALOX5APFEN1PIK3CD
SCHEMBL8385558 0.69 ASIC3 (0.61) ASIC3PIK3C3ALOX5APFEN1PIK3CD

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-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 ASIC3 4327/4885PIK3C3 61/4885ALOX5AP 2603/4885

“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.