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SCHEMBL68074

SCHEMBL68074

COC(=O)c1cccc(-c2nc(-c3ccncc3)c(-c3cnc(N)c(OC)c3)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.56
▸ MAPK14 Q16539 7/20 0.55
▸ ALOX5 P09917 4/20 0.51
▸ MAPK13 O15264 3/20 0.51
▸ MAPK12 P53778 3/20 0.51
▸ MAPK11 Q15759 3/20 0.51
▸ GCGR P47871 1/20 0.51
▸ MPO P05164 1/20 0.47
▸ NEK1 Q96PY6 1/20 0.47
▸ NOX1 Q9Y5S8 2/20 0.45
▸ CSNK1D P48730 2/20 0.45
▸ CSNK1E P49674 2/20 0.45
▸ SMPD3 Q9NY59 1/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ FYN P06241 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41

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
SCHEMBL68210 0.92 MAPK14 (0.52) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL67667 0.90 RAF1 (0.65) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL68478 0.86 MAPK14 (0.51) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL84220 0.85 MAPK14 (0.59) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL67025 0.84 MAPK13 (0.61) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL69090 0.83 MAPK14 (0.57) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL67505 0.83 ALOX5 (0.62) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL68129 0.83 ALOX5 (0.52) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL67076 0.82 KDM4E (0.52) RAF1MAPK14ALOX5MAPK13MAPK12
SCHEMBL67792 0.82 MAPK14 (0.51) RAF1MAPK14ALOX5MAPK13MAPK12

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 8 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-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 RAF1 4/4885MAPK14 484/4885ALOX5 4390/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS RAF1 2/4885MAPK14 218/4885ALOX5 3656/4885

“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.