SCHEMBL13636122

SCHEMBL13636122

CC(C)(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])nc2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAPK14 Q16539 3/20 0.37
BCL2 P10415 1/20 0.37
KMT2A Q03164 3/20 0.36
P2RX3 P56373 1/20 0.36
BRAF P15056 1/20 0.36
CDK8 P49336 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
MEN1 O00255 2/20 0.35
ATR Q13535 1/20 0.35
POLB P06746 1/20 0.35
PRMT1 Q99873 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13636107 0.88 ALDH1A1 (0.38) KMT2ABRAFCDK8MEN1PRMT1
SCHEMBL13636115 0.88 BRAF (0.47) KMT2ABRAFCDK8MEN1PRMT1
SCHEMBL3641659 0.85 KMT2A (0.40) KMT2AP2RX3CDK8MEN1POLB
SCHEMBL3641663 0.85 KMT2A (0.40) KMT2AP2RX3CDK8MEN1POLB
SCHEMBL13636123 0.83 CDK8 (0.52) MAPK14CDK8
SCHEMBL29996709 0.82 PRMT1 (0.47) BCL2KMT2AP2RX3MEN1PRMT1
SCHEMBL1478008 0.82 PRMT1 (0.47) BCL2KMT2AP2RX3MEN1PRMT1
SCHEMBL4732688 0.82 CDK8 (0.46) KMT2ACDK8MEN1
SCHEMBL29996697 0.82 CDK8 (0.46) KMT2ACDK8MEN1
SCHEMBL13636098 0.76 PRMT1 (0.40) KMT2AMEN1POLBPRMT1SMN1; SMN2

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 PDK1 4479/4885PDK2 3847/4885PDK3 3950/4885

“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.