Sugi Predict

Sugi Predict / Compounds / SCHEMBL67528

SCHEMBL67528

SCHEMBL67528

COc1cc(-c2[nH]c(-c3ccc(F)c(C=O)c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 11/20 0.45
▸ MAPK11 Q15759 10/20 0.45
▸ MAPK14 Q16539 10/20 0.45
▸ MAPK13 O15264 9/20 0.45
▸ MAPK12 P53778 9/20 0.45
▸ GCGR P47871 8/20 0.45
▸ CSNK1A1 P48729 3/20 0.42
▸ CSNK1D P48730 3/20 0.42
▸ PRKD3 O94806 2/20 0.42
▸ MAP4K4 O95819 2/20 0.42
▸ FRK P42685 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ PTK6 Q13882 2/20 0.42
▸ PRKD2 Q9BZL6 2/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ RAF1 P04049 2/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ TEK Q02763 2/20 0.40

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 0.89 MAPK13 (0.50) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL68107 0.87 ALOX5 (0.49) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL67232 0.87 MAPK13 (0.50) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL69343 0.85 MAPK14 (0.48) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL67076 0.84 KDM4E (0.52) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL70029 0.82 MAPK14 (0.49) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL67146 0.81 MAPK13 (0.63) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL68402 0.81 SMPD3 (0.57) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL67015 0.81 MAPK14 (0.57) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL68478 0.81 MAPK14 (0.51) ALOX5MAPK11MAPK14MAPK13MAPK12

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 ALOX5 4390/4885MAPK11 362/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ALOX5 3656/4885MAPK11 186/4885MAPK14 218/4885

“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.