SCHEMBL3637709

SCHEMBL3637709

Nc1ccc(Oc2ccc(Cl)c(N)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.61
TPO P07202 1/20 0.61
EPX P11678 1/20 0.61
LPO P22079 1/20 0.61
CDK8 P49336 14/20 0.52
LTA4H P09960 1/20 0.50
PIK3CD O00329 1/20 0.45
NR4A1 P22736 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29442810 0.80 CDK8 (0.62) MPOTPOEPXLPOCDK8
SCHEMBL21383965 0.80 CDK8 (0.62) MPOTPOEPXLPOCDK8
SCHEMBL14656102 0.80 CDK8 (0.67) MPOTPOEPXLPOCDK8
SCHEMBL29564176 0.79 LTA4H (0.60) MPOTPOEPXLPOCDK8
SCHEMBL30261351 0.78 LTA4H (0.77) MPOTPOEPXLPOCDK8
SCHEMBL29565038 0.78 CDK8 (0.56) MPOTPOEPXLPOCDK8
SCHEMBL4463834 0.78 CDK8 (0.67) MPOTPOEPXLPOCDK8
SCHEMBL29442821 0.78 CDK8 (0.67) MPOTPOEPXLPOCDK8
SCHEMBL2414204 0.78 MPO (0.55) MPOTPOEPXLPOCDK8
SCHEMBL30086740 0.78 MPO (0.55) MPOTPOEPXLPOCDK8

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 10 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
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
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
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
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 MPO 249/4885TPO 1990/4885EPX 1588/4885

“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.