SCHEMBL67707

SCHEMBL67707

COCC(=O)N1CCCC(Nc2nccc(-c3nc(-c4ccc(F)cc4)[nH]c3-c3cnc(N)c(OC)c3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
MAPT P10636 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
MAPK14 Q16539 1/20 0.37
CDK2 P24941 3/20 0.37
MAPK10 P53779 2/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37

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
SCHEMBL67706 1.00 POLB (0.41) POLBCCNKCDK12MAPTJAK2
SCHEMBL69093 0.93 BTK (0.39) POLBCCNKCDK12MAPK10DGAT2
SCHEMBL69092 0.93 BTK (0.39) POLBCCNKCDK12MAPK10DGAT2
SCHEMBL68690 0.88 CDK2 (0.47) CCNKCDK12MAPK14CDK2MAPK10
SCHEMBL68689 0.88 CDK2 (0.47) CCNKCDK12MAPK14CDK2MAPK10
SCHEMBL69402 0.88 CDK2 (0.47) CCNKCDK12MAPK14CDK2MAPK10
SCHEMBL69317 0.85 EIF2AK2 (0.43) MAPTMAPK14CDK2MAPK10PRKD3
SCHEMBL68164 0.85 MAPK14 (0.44) MAPTMAPK14CDK2MAPK10MAPK8
SCHEMBL67727 0.83 CDK4 (0.48) CDK12CDK2MAPK8GSK3AGSK3B
SCHEMBL69453 0.83 CDK4 (0.48) CDK12CDK2MAPK8GSK3AGSK3B

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 POLB 2484/4885CCNK 146/4885CDK12 201/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS POLB 2078/4885CCNK 112/4885CDK12 209/4885

“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.