SCHEMBL13639084

SCHEMBL13639084

Nc1nc2cc(Oc3cccc(N=O)c3)ccn2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.37
PIK3CD O00329 10/20 0.37
TNIK Q9UKE5 1/20 0.35
KDR P35968 3/20 0.33
PAK4 O96013 1/20 0.33
JAK1 P23458 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
CSNK1A1 P48729 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
ROCK2 O75116 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31

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 0.84 KDR (0.36) PIK3CGPIK3CDKDRJAK1PIK3CA
SCHEMBL4286269 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20641333 0.71 PIK3CG (0.44) PIK3CGPIK3CDTNIKPAK4JAK1
SCHEMBL13639124 0.69 PIK3CG (0.40) PIK3CGKDRMEN1KMT2AMITF
SCHEMBL24929808 0.69 BRAF (0.43) KDR
SCHEMBL13639098 0.69 NOS3 (0.47) MEN1KMT2AMITFALDH1A1GAA
SCHEMBL14256891 0.69 MAOB (0.50) MEN1KMT2AMITFALDH1A1GAA
SCHEMBL23753844 0.68 PIK3CG (0.39) PIK3CGPIK3CDTNIKPAK4JAK1
SCHEMBL15500373 0.68 SMN1; SMN2 (0.48) MEN1KMT2AMITFALDH1A1GAA
SCHEMBL10139164 0.65 MEN1 (0.54) MEN1KMT2AALDH1A1GAAMAPT

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 3611/4885PIK3CD 3768/4885TNIK 4477/4885

“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.