SCHEMBL4590229

SCHEMBL4590229

[O-][n+]1nc(Nc2cccnc2)[n+]([O-])c2cc(-c3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
KDR P35968 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
ALPL P05186 1/20 0.38
PDE5A O76074 2/20 0.38
MAPK1 P28482 2/20 0.37
RAF1 P04049 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
RAD52 P43351 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL14078748 0.88 NPC1 (0.41) NPC1RAB9ALMNAGAANAMPT
SCHEMBL5120348 0.85 KMT2A (0.40) NPC1RAB9ANAMPTKDRKMT2A
SCHEMBL5118372 0.83 ALDH1A1 (0.39) NPC1RAB9ALMNANAMPTKMT2A
SCHEMBL4589890 0.79 PDE5A (0.43) NPC1RAB9ALMNAGAANAMPT
SCHEMBL5120550 0.77 ABL1 (0.39) NPC1RAB9ALMNAGAANAMPT
SCHEMBL14078720 0.76 ROCK2 (0.36) NPC1RAB9ALMNAMAPTALPL
SCHEMBL14078722 0.74 CHRNB2 (0.47) NPC1RAB9ALMNANAMPTMAPT
SCHEMBL14078757 0.73 CHRNB2 (0.46) NPC1RAB9AMAPK1CYP1A2CYP3A4
SCHEMBL14078765 0.71 KMT2A (0.39) NPC1RAB9ALMNANAMPTKMT2A
SCHEMBL4908113 0.70 KIF11 (0.57) NPC1RAB9ALMNAGAANAMPT

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
WO-2008059259-A2 ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE SENTINEL ONCOLOGY LIMITED (GB) 2008-05-22 WO 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 NPC1 4206/4885RAB9A 4255/4885LMNA 4013/4885

“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.