SCHEMBL68192

SCHEMBL68192

COc1cc(-c2nc(-c3ccc(F)cc3)sc2Br)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.48
TNIK Q9UKE5 1/20 0.46
AHR P35869 1/20 0.44
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
APP P05067 3/20 0.40
IKBKB O14920 1/20 0.38
ILK Q13418 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.38
ALK Q9UM73 2/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL84550 0.82 PTGS2 (0.53) FYNTNIKAHRAPPPTGS2
SCHEMBL68078 0.77 FYN (0.48) FYNTNIKPDGFRBPDGFRAPIK3CA
SCHEMBL67171 0.77 FYN (0.48) FYNTNIKPDGFRBPDGFRAMAPT
SCHEMBL67455 0.76 CDC25A (0.55) FYNTNIKMAPT
SCHEMBL85078 0.70 MAPK14 (0.43) FYNPDGFRBPDGFRAMAPT
SCHEMBL67400 0.70 MAPK14 (0.54) FYNTNIKPDGFRBPDGFRA
SCHEMBL66548 0.69 FYN (0.50) FYNTNIKPDGFRBPDGFRAPIK3CA
SCHEMBL67983 0.69 MAPK14 (0.44) FYNPDGFRBPDGFRAPIK3CAPIK3CG
SCHEMBL67192 0.69 MAPK11 (0.64) TNIKMAPT
SCHEMBL67109 0.69 TNIK (0.43) FYNTNIKPDGFRBPDGFRAPIK3CA

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 204/4885AHR 965/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885TNIK 348/4885AHR 2091/4885

“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.