SCHEMBL13636120

SCHEMBL13636120

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
MAPT P10636 5/20 0.41
TEK Q02763 1/20 0.39
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL13636110 0.91 MAPT (0.43) MAPTKDRRAB9AALDH1A1KMT2A
SCHEMBL4280655 0.91 BRAF (0.43) BRAFMAPTTEKKDRFLT1
SCHEMBL13636124 0.89 MAPT (0.41) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL13636097 0.81 KDR (0.48) KDRFLT1RAB9ANPC1SMN1; SMN2
SCHEMBL3642174 0.81 BRAF (0.40) BRAFMAPTTEKKDRFLT1
SCHEMBL4282370 0.81 MAPT (0.43) BRAFMAPTKDRRAB9ANPC1
SCHEMBL4282325 0.80 NPC1 (0.39) BRAFMAPTKDRRAB9ANPC1
SCHEMBL13636118 0.77 CDK8 (0.53) BRAF
SCHEMBL27037578 0.77 MAPT (0.45) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL30698826 0.77 MAPT (0.45) MAPTRAB9ANPC1ALDH1A1KMT2A

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 BRAF 1364/4885MAPT 4806/4885TEK 4131/4885

“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.