SCHEMBL2862069

SCHEMBL2862069

O=C(O)Nc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 13/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
FFAR1 O14842 1/20 0.47
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
HPSE Q9Y251 1/20 0.43

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
SCHEMBL2862074 1.00 CDK8 (0.51) CDK8MEN1KMT2AFFAR1HTT
SCHEMBL28863208 0.91 CDK8 (0.57) CDK8FFAR1
SCHEMBL29995637 0.91 CDK8 (0.57) CDK8FFAR1
SCHEMBL14949664 0.86 MAPT (0.51) CDK8MEN1KMT2AFFAR1SMN1; SMN2
SCHEMBL14949667 0.86 MAPT (0.51) CDK8MEN1KMT2AFFAR1SMN1; SMN2
SCHEMBL29996697 0.84 CDK8 (0.46) CDK8MEN1KMT2AFFAR1
SCHEMBL4732688 0.84 CDK8 (0.46) CDK8MEN1KMT2AFFAR1
SCHEMBL2851358 0.81 KMT2A (0.40) CDK8MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2851361 0.81 KMT2A (0.40) CDK8MEN1KMT2AHTTSMN1; SMN2
SCHEMBL5169615 0.81 FFAR1 (0.69) MEN1KMT2AFFAR1HTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
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
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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
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 2998/4885MEN1 604/4885KMT2A 1404/4885

“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.