SCHEMBL68078

SCHEMBL68078

COc1cc(-c2nc(-c3ccc(F)cc3)oc2Br)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.48
TNIK Q9UKE5 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
ATR Q13535 1/20 0.39
ALK Q9UM73 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NEK2 P51955 1/20 0.36
UTRN P46939 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL67400 0.83 MAPK14 (0.54) FYNTNIKPDGFRBPDGFRAATR
SCHEMBL68192 0.77 FYN (0.48) FYNTNIKPDGFRBPDGFRAP2RX3
SCHEMBL67171 0.77 FYN (0.48) FYNTNIKPDGFRBPDGFRAALK
SCHEMBL66548 0.76 FYN (0.50) FYNTNIKPDGFRBPDGFRAP2RX3
SCHEMBL67732 0.73 BRAF (0.53) FYNTNIKP2RX3P2RX2ALK
SCHEMBL1004965 0.72 FAAH (0.46) POLBHPGDSMN1; SMN2PIK3CG
SCHEMBL1002445 0.72 FAAH (0.46) NPC1RAB9AHPGDUTRN
SCHEMBL67196 0.71 ATR (0.49) FYNPDGFRBPDGFRAATRNPC1
SCHEMBL67192 0.71 MAPK11 (0.64) TNIKHPGDSMN1; SMN2
SCHEMBL1002549 0.71 FAAH (0.44) NPC1RAB9AHPGD

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 6 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
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.