Sugi Predict

Sugi Predict / Compounds / SCHEMBL68619

SCHEMBL68619

SCHEMBL68619

COc1cc(-c2[nH]c(-c3ccc(C#N)cc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.58
▸ MAPK13 O15264 11/20 0.58
▸ MAPK12 P53778 11/20 0.58
▸ MAPK11 Q15759 11/20 0.58
▸ RAF1 P04049 5/20 0.58
▸ GCGR P47871 6/20 0.57
▸ ALOX5 P09917 4/20 0.57
▸ PKN1 Q16512 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PTK6 Q13882 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ SMPD3 Q9NY59 2/20 0.43

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
SCHEMBL68221 0.89 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67146 0.88 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68402 0.88 SMPD3 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67052 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67076 0.86 KDM4E (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67025 0.86 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67015 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69042 0.83 ALOX5 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69090 0.83 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67232 0.83 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1

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 10 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-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
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 MAPK14 484/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885MAPK12 353/4885

“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.