SCHEMBL5118511

SCHEMBL5118511

N#Cc1ccc(Nc2nc3ccccc3[n+]([O-])n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.47
ABCG2 Q9UNQ0 11/20 0.43
ABCB1 P08183 5/20 0.42
SYK P43405 1/20 0.40
TNKS O95271 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CSNK1D P48730 2/20 0.39
CSNK1G2 P78368 1/20 0.39
KDM1A O60341 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
ABCC1 P33527 1/20 0.37

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
SCHEMBL6680537 0.84 NPY5R (0.47) KDM1A
SCHEMBL5104884 0.75 KDM1A (0.55) KDM1A
SCHEMBL5118835 0.75 ABCG2 (0.40) ABCG2ABCB1EGFRKDRGSK3B
SCHEMBL5107999 0.75 KMT2A (0.49) EGFRKDR
SCHEMBL6674874 0.74 PDE4B (0.48)
SCHEMBL5106259 0.74 MERTK (0.50) MERTKABCG2ABCB1SYKTNKS
SCHEMBL6679187 0.73 IDO1 (0.37) MERTKKDRCSNK1D
SCHEMBL6673522 0.72 ALDH1A1 (0.36) MERTK
SCHEMBL11347630 0.71 MAPT (0.41)
SCHEMBL5107697 0.71 MEN1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US claimed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP claimed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO claimed
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 MERTK 597/4885ABCG2 1813/4885ABCB1 2797/4885

“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.