Sugi Predict

Sugi Predict / Compounds / SCHEMBL69956

SCHEMBL69956

SCHEMBL69956

CNc1ncc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 13/20 0.58
▸ MAPK12 P53778 13/20 0.58
▸ MAPK11 Q15759 13/20 0.58
▸ MAPK14 Q16539 13/20 0.58
▸ RAF1 P04049 9/20 0.58
▸ MAPK9 P45984 1/20 0.56
▸ NOX1 Q9Y5S8 2/20 0.54
▸ SMPD3 Q9NY59 1/20 0.54
▸ GCGR P47871 4/20 0.50
▸ BRAF P15056 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ MPO P05164 1/20 0.48

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
SCHEMBL67025 0.85 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27934209 0.81 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075623 0.81 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67449 0.81 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6465030 0.78 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67690 0.78 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67339 0.78 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL69086 0.77 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68478 0.77 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469484 0.76 NOX1 (0.88) MAPK13MAPK12MAPK11MAPK14RAF1

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.