SCHEMBL13639124

SCHEMBL13639124

Nc1cn2cc(Oc3cccc(N=O)c3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.40
AURKA O14965 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FURIN P09958 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13639068 0.79 KDR (0.36) PIK3CGAURKAPDGFRBKITFLT1
SCHEMBL4291714 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13639098 0.72 NOS3 (0.47) FURINALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3636494 0.72 KDR (0.52) AURKAPDGFRBKITFLT1KDR
SCHEMBL13639084 0.69 PIK3CG (0.37) PIK3CGKDRALDH1A1MAPTSMN1; SMN2
SCHEMBL14256891 0.69 MAOB (0.50) FURINALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL22129373 0.68 PIK3CG (0.55) PIK3CGALDH1A1MAPTNPC1RAB9A
SCHEMBL15500373 0.68 SMN1; SMN2 (0.48) FURINALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14949674 0.68 KDR (0.40) PIK3CGAURKAPDGFRBKITFLT1
SCHEMBL4310546 0.68 KDR (0.41) PIK3CGKDRALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CG 3611/4885AURKA 3114/4885PDGFRB 3323/4885

“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.