Sugi Predict

Sugi Predict / Compounds / SCHEMBL67554

SCHEMBL67554

SCHEMBL67554

COc1cc(-c2[nH]c(-c3ccc(Cl)cc3F)nc2-c2ccncc2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 3/20 0.46
▸ MAPK14 Q16539 11/20 0.44
▸ GCGR P47871 11/20 0.44
▸ MAPK13 O15264 9/20 0.44
▸ MAPK12 P53778 9/20 0.44
▸ MAPK11 Q15759 9/20 0.44
▸ CSNK1D P48730 2/20 0.43
▸ CSNK1E P49674 2/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ AMY1A P0DUB6 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 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
SCHEMBL67174 0.91 MAPK14 (0.50) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL69075 0.90 MAPK14 (0.49) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL70320 0.89 GCGR (0.46) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL66928 0.87 TEK (0.60) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL70029 0.86 MAPK14 (0.49) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL68844 0.85 MAPK14 (0.48) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL67571 0.84 MAPK13 (0.50) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL67977 0.83 TEK (0.60) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL68107 0.83 ALOX5 (0.49) TEKMAPK14GCGRMAPK13MAPK12
SCHEMBL67834 0.83 TEK (0.47) TEKMAPK14GCGRMAPK13MAPK12

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 TEK 1601/4885MAPK14 484/4885GCGR 3130/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TEK 3552/4885MAPK14 218/4885GCGR 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.