SCHEMBL67604

SCHEMBL67604

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc3[nH]ccc23)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
EGFR P00533 4/20 0.57
BRD4 O60885 1/20 0.47
MAPK11 Q15759 2/20 0.43
CSNK1D P48730 1/20 0.43
FYN P06241 2/20 0.41
KIT P10721 1/20 0.41
MAPK13 O15264 1/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAP3K11 Q16584 2/20 0.41
NUDT1 P36639 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL69061 0.84 MAPK14 (0.49) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL67644 0.82 MAPK14 (0.49) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL13693260 0.81 MAPK14 (0.50) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL13693247 0.79 MAPK14 (0.42) MAPK14EGFRMAPK11CSNK1DFYN
SCHEMBL69591 0.79 MAPK14 (0.51) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL67192 0.79 MAPK11 (0.64) MAPK14EGFRBRD4MAPK11CSNK1D
SCHEMBL67132 0.79 FYN (0.44) MAPK14EGFRBRD4MAPK11CSNK1D
SCHEMBL67121 0.78 MAPK14 (0.56) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL68110 0.78 FYN (0.46) MAPK14MAPK11CSNK1DFYNMAPK13
SCHEMBL69109 0.78 MAPK14 (0.46) MAPK14MAPK11CSNK1DFYNMAPK13

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 MAPK14 484/4885EGFR 197/4885BRD4 182/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885EGFR 782/4885BRD4 192/4885

“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.