SCHEMBL67260

SCHEMBL67260

Fc1ccc(-c2nc(-c3ccncc3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.83
EGFR P00533 6/20 0.83
MAPK13 O15264 11/20 0.61
GCGR P47871 11/20 0.61
MAPK12 P53778 11/20 0.61
MAPK11 Q15759 11/20 0.61
PRKD3 O94806 2/20 0.61
MAP4K4 O95819 2/20 0.61
FRK P42685 2/20 0.61
MAPK9 P45984 2/20 0.61
CSNK1A1 P48729 2/20 0.61
CSNK1D P48730 2/20 0.61
GSK3B P49841 2/20 0.61
PTK6 Q13882 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
PRKD2 Q9BZL6 1/20 0.61
ALOX5 P09917 4/20 0.56
KDM4E B2RXH2 1/20 0.55
CIT O14578 1/20 0.55
GAK O14976 1/20 0.55

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
SCHEMBL67898 0.77 MAPK13 (0.64) MAPK14EGFRMAPK13GCGRMAPK12
SCHEMBL19868925 0.77 MAPK11 (1.00) MAPK14EGFRMAPK13GCGRMAPK12
SCHEMBL15075603 0.77 MAPK11 (1.00) MAPK14EGFRMAPK13GCGRMAPK12
SCHEMBL12127926 0.76 IKBKB (0.70) MAPK14EGFRMAPK11PRKD3MAP4K4
SCHEMBL12461973 0.75 MAPK14 (0.71) MAPK14EGFRPRKD3MAP4K4CSNK1A1
SCHEMBL12461972 0.74 MAPK14 (0.70) MAPK14EGFRPRKD3MAP4K4CSNK1A1
SCHEMBL67604 0.73 MAPK14 (0.57) MAPK14EGFRMAPK13GCGRMAPK12
SCHEMBL2240257 0.72 IKBKB (0.74) PRKD3MAP4K4CSNK1A1CLK4CIT
SCHEMBL4552316 0.72 MAPK14 (1.00) MAPK14EGFRMAPK13GCGRMAPK12
SCHEMBL9195042 0.72 MAPK14 (1.00) MAPK14EGFRMAPK13GCGRMAPK12

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 11 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
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 MAPK14 484/4885EGFR 197/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885EGFR 782/4885MAPK13 197/4885

“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.