SCHEMBL68831

SCHEMBL68831

COc1cccc(Nc2nccc(-c3[nH]c(-c4ccc(F)cc4)nc3-c3cnc(N)c(OC)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 4/20 0.52
CDK5 Q00535 1/20 0.47
MAPK14 Q16539 5/20 0.45
GSK3B P49841 3/20 0.45
MAPK13 O15264 2/20 0.45
RAF1 P04049 2/20 0.45
MAPK9 P45984 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
CDK2 P24941 2/20 0.45
CDK4 P11802 1/20 0.45
DYRK1A Q13627 1/20 0.45
EGFR P00533 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL69049 0.95 PIK3CG (0.52) PIK3CGPIK3CAPIK3CBCDK5MAPK14
SCHEMBL69361 0.91 GSK3B (0.48) PIK3CGPIK3CAPIK3CBCDK5MAPK14
SCHEMBL69405 0.84 BRAF (0.44) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL67437 0.83 MAPK14 (0.53) MAPK14GSK3BMAPK13RAF1MAPK9
SCHEMBL69636 0.82 BRAF (0.52) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL13693370 0.81 BRAF (0.51) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL68688 0.80 IGF1R (0.49) PIK3CGPIK3CAPIK3CBCDK5GSK3B
SCHEMBL68793 0.79 MAPK14 (0.68) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL13693257 0.78 MAPK14 (0.38) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL66921 0.77 BRAF (0.44) PIK3CGPIK3CAMAPK14MAPK13RAF1

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 10 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-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-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
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (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 PIK3CG 222/4885PIK3CA 30/4885PIK3CB 83/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PIK3CG 124/4885PIK3CA 45/4885PIK3CB 52/4885

“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.