SCHEMBL66642

SCHEMBL66642

COc1cc(-c2nc(C3C=CCCC3)[nH]c2-c2ccncc2)cnc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.37
MAPK12 P53778 6/20 0.37
MAPK11 Q15759 6/20 0.37
MAPK14 Q16539 6/20 0.37
RAF1 P04049 5/20 0.37
MAPK9 P45984 3/20 0.37
MAP3K11 Q16584 1/20 0.37
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PDE4A P27815 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
BRAF P15056 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL69080 0.94 CSNK1A1 (0.37) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68123 0.84 RAF1 (0.55) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68206 0.80 CSNK1A1 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68623 0.80 CSNK1A1 (0.44) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL69079 0.76 PDGFRB (0.45) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL66641 0.75 PDGFRB (0.42) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68513 0.74 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67844 0.74 BRAF (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL66643 0.74 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14MAP3K11
SCHEMBL68659 0.73 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14RAF1

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 4 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-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-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 MAPK13 178/4885MAPK12 501/4885MAPK11 362/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK13 197/4885MAPK12 353/4885MAPK11 186/4885

“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.