SCHEMBL1509530

SCHEMBL1509530

COc1ncccc1-c1ccc(N)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.55
FEN1 P39748 4/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
AURKA O14965 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
DHFR P00374 1/20 0.46
DHODH Q02127 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
SCN9A Q15858 1/20 0.43
BTK Q06187 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
METAP2 P50579 1/20 0.41
NAAA Q02083 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL558935 0.81 ALOX5AP (0.55) ALOX5APFEN1LOXL2AURKATTK
SCHEMBL980447 0.81 MAP4K4 (0.63) ALOX5APFEN1LOXL2DHFRDHODH
SCHEMBL20481743 0.78 SCN9A (0.71) ALOX5APFEN1LOXL2DHFRDHODH
SCHEMBL15674328 0.77 FEN1 (0.62) ALOX5APFEN1LOXL2DHODHBTK
SCHEMBL29501222 0.77 FEN1 (0.62) ALOX5APFEN1LOXL2DHODHBTK
SCHEMBL4056518 0.76 DHODH (0.54) ALOX5APFEN1LOXL2DHODHCA1
SCHEMBL12864093 0.76 NPC1 (0.55) ALOX5APFEN1LOXL2DHODHCA1
SCHEMBL1542276 0.76 ALOX5AP (0.43) ALOX5APFEN1LOXL2AURKATTK
SCHEMBL3671941 0.76 JAK2 (0.56) ALOX5APFEN1LOXL2DHFRBTK
SCHEMBL29501236 0.75 BTK (0.50) ALOX5APFEN1LOXL2AURKATTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ALOX5AP 650/4885FEN1 3458/4885LOXL2 1125/4885

“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.