SCHEMBL4293267

SCHEMBL4293267

Cc1ccc(S(=O)(=O)/N=c2/ccc(Oc3cccc(NC(=O)c4ncccc4C)c3)cn2CC(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
POLB P06746 2/20 0.36
GRM4 Q14833 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
F2 P00734 1/20 0.34
ACKR3 P25106 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDR P35968 3/20 0.34
GCK P35557 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL4293268 1.00 CDK8 (0.38) CDK8POLBGRM4RXFP1F2
SCHEMBL4284151 0.85 POLB (0.37) CDK8POLBGRM4ACKR3CYP1A2
SCHEMBL4284146 0.85 POLB (0.37) CDK8POLBGRM4ACKR3CYP1A2
SCHEMBL4286172 0.84 KDR (0.49) CDK8POLBALDH1A1KDRMAPT
SCHEMBL4286175 0.84 KDR (0.49) CDK8POLBALDH1A1KDRMAPT
SCHEMBL2851210 0.82 MEN1 (0.46) POLBRXFP1ALDH1A1KDRMAPT
SCHEMBL2851212 0.82 MEN1 (0.46) POLBRXFP1ALDH1A1KDRMAPT
SCHEMBL13639015 0.81 HTT (0.38) CDK8POLBF2ALDH1A1CYP1A2
SCHEMBL2853934 0.80 BRAF (0.41) CYP2C9KDRMEN1KMT2A
SCHEMBL2853933 0.80 BRAF (0.41) CYP2C9KDRMEN1KMT2A

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 8 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
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

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 2998/4885POLB 4648/4885GRM4 290/4885

“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.