SCHEMBL68403

SCHEMBL68403

COc1cc(-c2c(-c3ccncc3)ncn2-c2ccccc2C)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
PDE10A Q9Y233 1/20 0.39
NSD3 Q9BZ95 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FYN P06241 3/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL68404 0.72 PIK3CA (0.41) PDGFRBPDGFRAFYNAURKATTK
SCHEMBL66952 0.70 TEK (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL69081 0.69 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL66643 0.68 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL28845537 0.68 ALDH1A1 (0.49) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL67138 0.68 PDGFRB (0.44) MAPK13MAPK12MAPK11MAPK14PDGFRB
SCHEMBL67300 0.68 ATR (0.49) MAPK13MAPK12MAPK11MAPK14PDGFRB
SCHEMBL67025 0.67 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL68277 0.67 CDC7 (0.46) MAPK14FYN
SCHEMBL67196 0.65 ATR (0.49) MAPK13MAPK12MAPK11MAPK14PDGFRB

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 MAPK13 178/4885MAPK12 501/4885MAPK11 362/4885

“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.