Sugi Predict

Sugi Predict / Compounds / SCHEMBL67232

SCHEMBL67232

SCHEMBL67232

COc1ccc(-c2nc(-c3ccncc3)c(-c3cnc(N)c(OC)c3)[nH]2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 8/20 0.50
▸ MAPK12 P53778 8/20 0.50
▸ MAPK11 Q15759 8/20 0.50
▸ MAPK14 Q16539 8/20 0.50
▸ GCGR P47871 7/20 0.50
▸ ALOX5 P09917 5/20 0.50
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ FRK P42685 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PTK6 Q13882 1/20 0.46
▸ PRKD2 Q9BZL6 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL67571 0.94 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL69343 0.92 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67076 0.92 KDM4E (0.52) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL68107 0.90 ALOX5 (0.49) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67528 0.87 ALOX5 (0.45) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67146 0.86 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL68402 0.86 SMPD3 (0.57) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67015 0.86 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL68478 0.85 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67052 0.85 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14GCGR

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 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.