SCHEMBL67794

SCHEMBL67794

COc1cc(-c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccn2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
MAPK13 O15264 3/20 0.46
RAF1 P04049 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK9 P45984 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
CBFB Q13951 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NOX1 Q9Y5S8 2/20 0.40
TGFBR1 P36897 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPBWR1 P48145 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 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
SCHEMBL67015 0.86 MAPK14 (0.57) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL66226 0.84 MAPK14 (0.57) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67025 0.78 MAPK13 (0.61) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67449 0.76 MAPK14 (0.61) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67988 0.76 TEK (0.62) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL68402 0.75 SMPD3 (0.57) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67146 0.75 MAPK13 (0.63) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67132 0.74 FYN (0.44) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67231 0.74 MAPK14 (0.53) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL67052 0.74 MAPK14 (0.56) MAPK14MAPK13RAF1MAPK12MAPK11

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885MAPK13 178/4885RAF1 4/4885

“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.