SCHEMBL68826

SCHEMBL68826

CC(O)CNc1nccc(-c2c(Br)nc(C(C)(C)C)n2COCC[Si](C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
MAPK10 P53779 9/20 0.32
DGAT1 O75907 2/20 0.32
MAPK14 Q16539 3/20 0.31
MAP4K4 O95819 2/20 0.31
MAPK1 P28482 2/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
CSNK1A1 P48729 2/20 0.31
CSNK1D P48730 2/20 0.31
LIMK1 P53667 2/20 0.31
TAOK1 Q7L7X3 2/20 0.31
PRKD2 Q9BZL6 2/20 0.31
MAPT P10636 1/20 0.31
FLT3 P36888 1/20 0.30
MAPK13 O15264 1/20 0.30
PRKD3 O94806 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30
CSNK1G2 P78368 1/20 0.30

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
SCHEMBL68825 1.00 BRAF (0.34) BRAFMAPK10DGAT1MAPK14MAP4K4
SCHEMBL1494544 0.88 BRAF (0.35) BRAF
SCHEMBL88124 0.86 CCNE2 (0.38) BRAF
SCHEMBL88123 0.86 CCNE2 (0.38) BRAF
SCHEMBL87554 0.80 DGAT1 (0.34) DGAT1MAPT
SCHEMBL68362 0.78 PIK3CG (0.37)
SCHEMBL6524591 0.74 DGAT1 (0.32) DGAT1
SCHEMBL6524581 0.74 DGAT1 (0.32) DGAT1
SCHEMBL6520486 0.74 BRAF (0.38) BRAFMAPK10
SCHEMBL6521889 0.74 BRAF (0.38) BRAF

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 BRAF 1/4885MAPK10 311/4885DGAT1 3367/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885MAPK10 223/4885DGAT1 2240/4885

“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.