SCHEMBL67171

SCHEMBL67171

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2Br)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.48
TNIK Q9UKE5 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
AMY1A P0DUB6 3/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
ALK Q9UM73 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL67192 0.82 MAPK11 (0.64) TNIKMAPK14MAPK13ALOX5GCGR
SCHEMBL69591 0.81 MAPK14 (0.51) FYNMAPK14MAPK13ALOX5GCGR
SCHEMBL13693260 0.81 MAPK14 (0.50) FYNMAPK14MAPK13ALOX5GCGR
SCHEMBL67437 0.80 MAPK14 (0.53) FYNMAPK14MAPK13ALOX5GCGR
SCHEMBL67983 0.80 MAPK14 (0.44) FYNPDGFRBPDGFRAMAPK14MAPK13
SCHEMBL67121 0.80 MAPK14 (0.56) FYNMAPK14MAPK13ALOX5GCGR
SCHEMBL69109 0.79 MAPK14 (0.46) FYNPDGFRBPDGFRAAMY1AMAPK14
SCHEMBL85078 0.79 MAPK14 (0.43) FYNPDGFRBPDGFRAMAPK14MAPK13
SCHEMBL67682 0.78 CDK9 (0.43) FYNTNIKMAPTKDM4EMEN1
SCHEMBL68110 0.78 FYN (0.46) FYNTNIKPDGFRBPDGFRAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS FYN 628/4885TNIK 204/4885PDGFRB 2417/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885TNIK 348/4885PDGFRB 2106/4885

“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.