SCHEMBL4589890

SCHEMBL4589890

[O-][n+]1nc(Nc2cccnc2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.43
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
RAF1 P04049 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
KDR P35968 2/20 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
SCHEMBL5107999 0.83 KMT2A (0.49) PDE5AKMT2ARAD52NPC1RAB9A
SCHEMBL5116913 0.83 CYP19A1 (0.43) KMT2ARAD52NPC1RAB9AMEN1
SCHEMBL4590229 0.79 NPC1 (0.40) PDE5AKMT2ARAD52NPC1RAB9A
SCHEMBL5105062 0.76 SRC (0.51) PDE5AKMT2ARAD52NPC1RAB9A
SCHEMBL5119807 0.76 PRKCD (0.39) KMT2ARAD52NPC1RAB9ALMNA
SCHEMBL5111051 0.75 CHRNB2 (0.48) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL5118743 0.75 HTR7 (0.49) KMT2ACYP1A2CYP3A4MAPK1USP2
SCHEMBL5108373 0.74 ABL1 (0.44) NPC1RAB9AMAPTLMNAGAA
SCHEMBL5111588 0.74 MAP4K1 (0.50) KMT2AALDH1A1
SCHEMBL6680537 0.73 NPY5R (0.47) KMT2ANPC1RAB9AMEN1MAPT

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 7 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
WO-2008059259-A2 ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE SENTINEL ONCOLOGY LIMITED (GB) 2008-05-22 WO disclosed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP disclosed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 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 PDE5A 1370/4885KMT2A 960/4885RAD52 2460/4885

“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.