Sugi Predict

Sugi Predict / Compounds / SCHEMBL68938

SCHEMBL68938

SCHEMBL68938

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2cncs2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 8/20 0.44
▸ MAPK12 P53778 8/20 0.44
▸ MAPK11 Q15759 8/20 0.44
▸ MAPK14 Q16539 8/20 0.44
▸ GCGR P47871 7/20 0.44
▸ ALOX5 P09917 3/20 0.44
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NCOA2 Q15596 2/20 0.43
▸ NCOA1 Q15788 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FYN P06241 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
SCHEMBL67983 0.92 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67192 0.82 MAPK11 (0.64) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL69061 0.82 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL69109 0.82 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL13693260 0.81 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67644 0.80 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL68110 0.80 FYN (0.46) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL85078 0.79 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL69591 0.79 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67132 0.78 FYN (0.44) MAPK13MAPK12MAPK11MAPK14GCGR

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.