SCHEMBL68206

SCHEMBL68206

COc1cc(-c2[nH]c(C3CC3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
RPS6KA3 P51812 1/20 0.51
MAPK13 O15264 3/20 0.47
RAF1 P04049 3/20 0.47
MAPK9 P45984 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
BRAF P15056 3/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KIT P10721 7/20 0.40
MAP3K11 Q16584 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL68123 0.91 RAF1 (0.55) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL68623 0.89 CSNK1A1 (0.44) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL67138 0.83 PDGFRB (0.44) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL69080 0.82 CSNK1A1 (0.37) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL66642 0.80 MAPK13 (0.37) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL67076 0.79 KDM4E (0.52) CSNK1A1CSNK1DMAPK13RAF1MAPK9
SCHEMBL67025 0.79 MAPK13 (0.61) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL67146 0.78 MAPK13 (0.63) CSNK1A1CSNK1DMAPK13RAF1MAPK9
SCHEMBL68402 0.78 SMPD3 (0.57) CSNK1A1CSNK1DMAPK13RAF1MAPK9
SCHEMBL67052 0.77 MAPK14 (0.56) CSNK1A1CSNK1DMAPK13RAF1MAPK9

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 CSNK1A1 945/4885CSNK1D 1506/4885RPS6KA3 339/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CSNK1A1 549/4885CSNK1D 835/4885RPS6KA3 241/4885

“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.