Sugi Predict

Sugi Predict / Compounds / SCHEMBL70320

SCHEMBL70320

SCHEMBL70320

COc1ccc(Cl)cc1-c1nc(-c2ccncc2)c(-c2cnc(N)c(OC)c2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 10/20 0.46
▸ MAPK13 O15264 10/20 0.46
▸ MAPK12 P53778 10/20 0.46
▸ MAPK11 Q15759 10/20 0.46
▸ MAPK14 Q16539 10/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TEK Q02763 1/20 0.43
▸ RAF1 P04049 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NTRK1 P04629 1/20 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
SCHEMBL67554 0.89 TEK (0.46) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL67977 0.86 TEK (0.60) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL67076 0.84 KDM4E (0.52) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL66952 0.83 TEK (0.59) MAPK13MAPK12MAPK11MAPK14TEK
SCHEMBL70029 0.82 MAPK14 (0.49) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL67025 0.82 MAPK13 (0.61) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL67174 0.82 MAPK14 (0.50) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL66928 0.82 TEK (0.60) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL67146 0.81 MAPK13 (0.63) GCGRMAPK13MAPK12MAPK11MAPK14
SCHEMBL68402 0.81 SMPD3 (0.57) GCGRMAPK13MAPK12MAPK11MAPK14

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 GCGR 3130/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS GCGR 3472/4885MAPK13 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.