SCHEMBL5111588

SCHEMBL5111588

[O-][n+]1nc(Nc2ccc(N3CCNCC3)cc2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.50
KDM1A O60341 1/20 0.48
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
MYLK4 Q86YV6 2/20 0.41
STK17A Q9UEE5 2/20 0.41
WEE1 P30291 1/20 0.41
CDK4 P11802 2/20 0.40
CDK6 Q00534 1/20 0.40
KHK P50053 2/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
CCND3 P30281 1/20 0.39
CETP P11597 1/20 0.39
STAT6 P42226 1/20 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
SCHEMBL5118743 0.90 HTR7 (0.49) MAP4K1KDM1AHTR1AHTR7POLB
SCHEMBL14078710 0.88 MAP4K1 (0.50) MAP4K1KDM1AHTR1AHTR7POLB
SCHEMBL5104884 0.86 KDM1A (0.55) KDM1APOLBKMT2ASTK17AWEE1
SCHEMBL5108246 0.85 STK17A (0.44) KDM1ASTK17AWEE1CDK4CDK6
SCHEMBL5113047 0.81 KDM1A (0.44) MAP4K1KDM1AHTR1AHTR7KHK
SCHEMBL5119277 0.80 MAP4K1 (0.54) MAP4K1KDM1AHTR1AHTR7POLB
SCHEMBL14078705 0.78 HTR7 (0.49) MAP4K1HTR1AHTR7POLBKMT2A
SCHEMBL5111993 0.77 MARK3 (0.45) KDM1AHTR1AHTR7POLBKMT2A
SCHEMBL14078749 0.75 KDM1A (0.43) MAP4K1KDM1AHTR1AHTR7KHK
SCHEMBL4589890 0.74 PDE5A (0.43) KMT2AALDH1A1

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-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

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 MAP4K1 38/4885KDM1A 1103/4885HTR1A 3015/4885

“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.