SCHEMBL4286235

SCHEMBL4286235

O=C(Nc1nc2cc(Oc3cccc([N+](=O)[O-])c3)ccn2n1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.53
JAK2 O60674 5/20 0.48
KDR P35968 9/20 0.47
AURKA O14965 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
BRAF P15056 1/20 0.47
FLT1 P17948 1/20 0.47
JAK1 P23458 4/20 0.43
IKBKB O14920 1/20 0.43
RIPK2 O43353 1/20 0.43
LCK P06239 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
GSK3B P49841 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2B Q14289 1/20 0.43
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
KMT2A Q03164 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
SCHEMBL4282021 0.88 KDR (0.61) TDP2JAK2KDRAURKAPDGFRB
SCHEMBL4283763 0.84 JAK2 (0.52) JAK2KDRAURKAPDGFRBKIT
SCHEMBL4286269 0.76 ALDH1A1 (0.45) TDP2KMT2A
SCHEMBL4289519 0.76 KDR (0.59) KDRAURKAPDGFRBKITBRAF
SCHEMBL4280701 0.75 KDR (0.81) KDRAURKAPDGFRBKITBRAF
SCHEMBL4284831 0.75 KDR (0.57) TDP2JAK2KDRAURKAPDGFRB
SCHEMBL13031373 0.74 JAK1 (0.71) JAK2JAK1IKBKBRIPK2LCK
SCHEMBL2193477 0.73 RIPK3 (0.71) KDRAURKAPDGFRBKITFLT1
SCHEMBL1259876 0.72 KDR (0.54) TDP2KDRAURKAPDGFRBKIT
SCHEMBL24296290 0.72 KDR (0.50) JAK2KDRJAK1IKBKBRIPK2

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 TDP2 4819/4885JAK2 281/4885KDR 2311/4885

“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.