SCHEMBL3637237

SCHEMBL3637237

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
TDP1 Q9NUW8 1/20 0.34
BRAF P15056 2/20 0.34
MET P08581 2/20 0.34
KDR P35968 1/20 0.34
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
RAB9A P51151 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL3640313 0.90 MAPT (0.36) BRAFMETKDRP2RX3ALDH1A1
SCHEMBL3642174 0.90 BRAF (0.40) BRAFMETKDRMAPTRAB9A
SCHEMBL3513086 0.85 CDK8 (0.41) KDRALDH1A1RAB9A
SCHEMBL4282325 0.83 NPC1 (0.39) MAPK14BRAFMETKDRALDH1A1
SCHEMBL13636124 0.81 MAPT (0.41) MAPK14TDP1METALDH1A1MAPT
SCHEMBL13636123 0.76 CDK8 (0.52) MAPK14
SCHEMBL1259491 0.74 TSHR (0.44) METALDH1A1MAPTMEN1LMNA
SCHEMBL4282370 0.73 MAPT (0.43) TDP1BRAFMETKDRALDH1A1
SCHEMBL13636122 0.73 PDK1 (0.39) MAPK14BRAFP2RX3MEN1KMT2A
SCHEMBL13636110 0.72 MAPT (0.43) METKDRALDH1A1MAPTKMT2A

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
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP 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 MAPK14 1744/4885TDP1 4809/4885BRAF 1364/4885

“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.