SCHEMBL1259136

SCHEMBL1259136

O=C(Nc1cn2cc(Oc3ccc([N+](=O)[O-])cc3F)ccc2n1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.56
MET P08581 7/20 0.56
FLT1 P17948 2/20 0.53
FLT4 P35916 1/20 0.53
LRRK2 Q5S007 3/20 0.46
AURKA O14965 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
ABL1 P00519 2/20 0.43
MAP4K1 Q92918 2/20 0.43
HSPB1 P04792 1/20 0.42
NAMPT P43490 1/20 0.41
BRAF P15056 1/20 0.40

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
SCHEMBL4447930 0.85 KDR (0.70) KDRMETFLT1FLT4LRRK2
SCHEMBL1257985 0.85 KDR (0.59) KDRMETFLT1FLT4LRRK2
SCHEMBL4289519 0.84 KDR (0.59) KDRMETFLT1LRRK2AURKA
SCHEMBL1260325 0.84 KDR (0.41) KDRMETFLT1FLT4LRRK2
SCHEMBL1259876 0.84 KDR (0.54) KDRMETFLT1AURKAPDGFRB
SCHEMBL14949679 0.83 KDR (0.70) KDRMETFLT1FLT4LRRK2
SCHEMBL1260305 0.82 KDR (0.43) KDRMETFLT1FLT4LRRK2
SCHEMBL1259672 0.81 KDR (0.47) KDRMETFLT1FLT4LRRK2
SCHEMBL28352008 0.79 KDR (0.59) KDRBRAF
SCHEMBL1259741 0.79 KDR (0.55) KDRMETFLT1FLT4LRRK2

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
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 KDR 966/4885MET 560/4885FLT1 1499/4885

“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.