Sugi Predict

Sugi Predict / Compounds / SCHEMBL67505

SCHEMBL67505

SCHEMBL67505

COc1cc(-c2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.62
▸ MAPK14 Q16539 6/20 0.51
▸ TEK Q02763 3/20 0.49
▸ MAPK11 Q15759 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ CSNK1E P49674 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CSNK1A1L Q8N752 1/20 0.47
▸ ATR Q13535 1/20 0.46
▸ MAPK13 O15264 2/20 0.45
▸ RAF1 P04049 2/20 0.45
▸ MAPK12 P53778 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ NOX1 Q9Y5S8 2/20 0.44
▸ MPO P05164 1/20 0.43
▸ SMPD3 Q9NY59 1/20 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
SCHEMBL68129 0.93 ALOX5 (0.52) ALOX5MAPK14TEKMAPK11MAPK13
SCHEMBL68478 0.87 MAPK14 (0.51) ALOX5MAPK14MAPK11ALDH1A1MAPK13
SCHEMBL84220 0.85 MAPK14 (0.59) MAPK14MAPK11CSNK1DCSNK1EMAPK13
SCHEMBL67025 0.85 MAPK13 (0.61) ALOX5MAPK14MAPK11MAPK13RAF1
SCHEMBL69042 0.84 ALOX5 (0.60) ALOX5MAPK14TEKMAPK11ALDH1A1
SCHEMBL68210 0.83 MAPK14 (0.52) ALOX5MAPK14MAPK11ALDH1A1CSNK1D
SCHEMBL67076 0.83 KDM4E (0.52) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL67792 0.83 MAPK14 (0.51) ALOX5MAPK14MAPK11ALDH1A1MAPK13
SCHEMBL68074 0.83 RAF1 (0.56) ALOX5MAPK14MAPK11CSNK1DCSNK1E
SCHEMBL68221 0.82 MAPK14 (0.50) ALOX5MAPK14MAPK11ALDH1A1MAPK13

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 4390/4885MAPK14 484/4885TEK 1601/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ALOX5 3656/4885MAPK14 218/4885TEK 3552/4885

“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.