Sugi Predict

Sugi Predict / Compounds / SCHEMBL85078

SCHEMBL85078

SCHEMBL85078

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2nccs2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.43
▸ MAPK13 O15264 6/20 0.43
▸ GCGR P47871 6/20 0.43
▸ MAPK12 P53778 6/20 0.43
▸ MAPK11 Q15759 6/20 0.43
▸ ALOX5 P09917 3/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ FYN P06241 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MET P08581 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL15181586 0.87 TGFBR1 (0.45) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL67192 0.84 MAPK11 (0.64) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL67983 0.83 MAPK14 (0.44) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL13693260 0.82 MAPK14 (0.50) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL69591 0.82 MAPK14 (0.51) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL67121 0.81 MAPK14 (0.56) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL67437 0.81 MAPK14 (0.53) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL68938 0.79 MAPK13 (0.44) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL67171 0.79 FYN (0.48) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL69109 0.79 MAPK14 (0.46) MAPK14MAPK13GCGRMAPK12MAPK11

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 7 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-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
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 — — WO 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 178/4885GCGR 3130/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885GCGR 3472/4885

“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.