SCHEMBL13636110

SCHEMBL13636110

CCOC(=O)NC(=S)Nc1ccc(Oc2ccc(C)c(NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 1/20 0.38
MET P08581 2/20 0.37
RAB9A P51151 2/20 0.37
KDR P35968 3/20 0.36
NLRP3 Q96P20 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13636124 0.91 MAPT (0.41) MAPTKMT2AMETRAB9AALDH1A1
SCHEMBL13636120 0.91 BRAF (0.41) MAPTKMT2ARAB9AKDRALDH1A1
SCHEMBL4282370 0.91 MAPT (0.43) MAPTKMT2AMETRAB9AKDR
SCHEMBL4282325 0.81 NPC1 (0.39) MAPTKMT2AMETRAB9AKDR
SCHEMBL4280655 0.81 BRAF (0.43) MAPTKMT2AMETKDR
SCHEMBL3674795 0.81 KDR (0.49) MAPTKDR
SCHEMBL13636108 0.77 CDK8 (0.52)
SCHEMBL30698449 0.76 MAPT (0.49) MAPTKMT2AMETRAB9AALDH1A1
SCHEMBL6844995 0.76 MAPT (0.49) MAPTKMT2AMETRAB9AALDH1A1
SCHEMBL2855460 0.76 CDK8 (0.45) MAPTMETRAB9AKDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO 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 (1 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX MAPT 4806/4885KMT2A 1404/4885MET 444/4885

“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.