SCHEMBL13636123

SCHEMBL13636123

CC(C)(C)OC(=O)Nc1cc(Oc2ccc(N)nc2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 18/20 0.52
MAPK14 Q16539 1/20 0.46
MPO P05164 1/20 0.43
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
LPO P22079 1/20 0.43
CDK7 P50613 1/20 0.41
CDK6 Q00534 1/20 0.41

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
SCHEMBL13636108 0.87 CDK8 (0.52) CDK8CDK7CDK6
SCHEMBL13636118 0.86 CDK8 (0.53) CDK8CDK7CDK6
SCHEMBL3637169 0.83 CDK8 (0.58) CDK8MPOTPOEPXLPO
SCHEMBL13636122 0.83 PDK1 (0.39) CDK8MAPK14
SCHEMBL1479164 0.81 CDK8 (0.57) CDK8CDK7CDK6
SCHEMBL4889660 0.81 CDK8 (0.67) CDK8CDK7CDK6
SCHEMBL4282325 0.79 NPC1 (0.39) MAPK14
SCHEMBL22569411 0.79 MAPKAPK2 (0.42) MAPK14
SCHEMBL14598625 0.78 TDP1 (0.51)
SCHEMBL13636124 0.77 MAPT (0.41) MAPK14

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 4 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

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 CDK8 2998/4885MAPK14 1744/4885MPO 249/4885

“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.