Sugi Predict

Sugi Predict / Compounds / SCHEMBL67690

SCHEMBL67690

SCHEMBL67690

COc1ncc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 17/20 0.61
▸ MAPK13 O15264 16/20 0.61
▸ MAPK12 P53778 16/20 0.61
▸ MAPK11 Q15759 16/20 0.61
▸ RAF1 P04049 12/20 0.61
▸ MAPK9 P45984 1/20 0.59
▸ AURKA O14965 1/20 0.57
▸ TTK P33981 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ INCENP Q9NQS7 1/20 0.57
▸ MAPT P10636 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ GCGR P47871 4/20 0.52
▸ BRAF P15056 2/20 0.52
▸ ALOX5 P09917 1/20 0.52
▸ BRDT Q58F21 1/20 0.50

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
SCHEMBL91495 0.85 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67025 0.84 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68343 0.80 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67449 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67023 0.80 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67339 0.79 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69956 0.78 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69184 0.78 MAPK13 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68620 0.78 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68452 0.77 MAPK13 (0.70) 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 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 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.