SCHEMBL5113047

SCHEMBL5113047

[O-][n+]1nc(Nc2ccc(N3CCNCC3)cc2)[n+]([O-])c2cc(-c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
HTR7 P34969 4/20 0.43
HTR1A P08908 3/20 0.43
KHK P50053 3/20 0.42
ACVR1 Q04771 2/20 0.39
HTR6 P50406 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDR P35968 1/20 0.38
TGFBR1 P36897 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL14078749 0.90 KDM1A (0.43) KDM1AHTR7HTR1AKHKACVR1
SCHEMBL5112098 0.90 HTR7 (0.50) HTR7HTR1AKHKHTR6HTR3E
SCHEMBL5111055 0.87 KDM1A (0.48) KDM1AHTR6HTR3EHTR3BADRB1
SCHEMBL5114062 0.84 ADRB1 (0.45) KDM1AHTR7HTR1AHTR6HTR3E
SCHEMBL5111588 0.81 MAP4K1 (0.50) KDM1AHTR7HTR1AKHKACVR1
SCHEMBL14078744 0.81 HTR7 (0.48) HTR7HTR1AKHKHTR6HTR3E
SCHEMBL14078760 0.74 ADRB1 (0.43) KDM1AHTR7HTR1AHTR6HTR3E
SCHEMBL4590229 0.73 NPC1 (0.40) KDR
SCHEMBL14078710 0.73 MAP4K1 (0.50) KDM1AHTR7HTR1AKHKACVR1
SCHEMBL5105082 0.72 KCNH2 (0.41) HTR7HTR1AACVR1HTR6HTR3E

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 KDM1A 1103/4885HTR7 1981/4885HTR1A 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.