SCHEMBL4283877

SCHEMBL4283877

COC(=O)Nc1cn2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
TEK Q02763 1/20 0.52
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
MYOC Q99972 1/20 0.46
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
MITF O75030 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
NTSR1 P30989 1/20 0.40
PKM P14618 1/20 0.40
SRD5A2 P31213 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL4286301 0.84 KDR (0.56) KDRTEKRAB9AMAPTNPC1
SCHEMBL3639615 0.83 KDR (0.56) KDRTEKRAB9ANPC1SMN1; SMN2
SCHEMBL3642540 0.81 KDR (0.61) KDRTEKMEN1KMT2ARAB9A
SCHEMBL4289519 0.74 KDR (0.59) KDRAURKAPDGFRBKITFLT1
SCHEMBL1259672 0.73 KDR (0.47) KDRMAPTNPSR1GAAL3MBTL1
SCHEMBL3150363 0.72 MAP3K5 (0.44) KDRTEKALDH1A1
SCHEMBL1259136 0.72 KDR (0.56) KDRHSPB1AURKAPDGFRBKIT
SCHEMBL1259187 0.71 KDR (0.59) KDRLMNAAURKAPDGFRBKIT
SCHEMBL1259130 0.71 KDR (0.50) KDRAURKAPDGFRBKITFLT1
SCHEMBL2127668 0.70 RAB9A (0.60) MEN1KMT2ARAB9AMAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US claimed
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

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 KDR 2311/4885TEK 4131/4885MEN1 604/4885

“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.