Sugi Predict

Sugi Predict / Compounds / SCHEMBL67138

SCHEMBL67138

SCHEMBL67138

COc1cc(-c2[nH]c(C)nc2-c2ccncc2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ MAPK14 Q16539 6/20 0.39
▸ MAPK13 O15264 4/20 0.39
▸ MAPK12 P53778 4/20 0.39
▸ MAPK11 Q15759 4/20 0.39
▸ SMPD3 Q9NY59 3/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ DHFR P00374 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ S1PR1 P21453 2/20 0.38

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
SCHEMBL68402 0.85 SMPD3 (0.57) MAPK14MAPK13MAPK12MAPK11SMPD3
SCHEMBL67025 0.84 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11SMPD3
SCHEMBL67076 0.84 KDM4E (0.52) KDM4EHPGDSMN1; SMN2MAPK14MAPK13
SCHEMBL67146 0.83 MAPK13 (0.63) KDM4EHPGDMAPK14MAPK13MAPK12
SCHEMBL68206 0.83 CSNK1A1 (0.51) PDGFRBPDGFRAAURKATTKAURKB
SCHEMBL84220 0.82 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11SMPD3
SCHEMBL66952 0.82 TEK (0.59) MAPK14MAPK13MAPK12MAPK11SMPD3
SCHEMBL68478 0.82 MAPK14 (0.51) KDM4EHPGDMAPK14MAPK13MAPK12
SCHEMBL67052 0.82 MAPK14 (0.56) KDM4EHPGDTTKMAPK14MAPK13
SCHEMBL68107 0.81 ALOX5 (0.49) KDM4EHPGDTTKMAPK14MAPK13

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 PDGFRB 2417/4885PDGFRA 2951/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PDGFRB 2106/4885PDGFRA 2375/4885KDM4E 2526/4885

“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.