SCHEMBL5118867

SCHEMBL5118867

[O-][n+]1nc(N2CCNCC2)nc2ccc(-c3cc[nH]n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.34
UBE2N P61088 2/20 0.34
APAF1 O14727 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
MYLK4 Q86YV6 3/20 0.34
STK17A Q9UEE5 3/20 0.34
ROCK2 O75116 6/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ROCK1 Q13464 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL5112033 0.78 KDM4E (0.39) KDM4EKMT2AS1PR2LMNAHIF1A
SCHEMBL11614873 0.74 ALDH1A1 (0.49) KDM4EKMT2AS1PR2LMNAHIF1A
Hydrochloric Acid SCHEMBL11613543 0.73 ALDH1A1 (0.48) KDM4EKMT2AS1PR2LMNAHIF1A
SCHEMBL24053338 0.64 ADRB1 (0.51) KDM4EALDH1A1ROCK2ROCK1
SCHEMBL11462777 0.64 F7 (0.36) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL20651443 0.63 NCF1 (0.54) ROCK2ROCK1HTR3A
SCHEMBL5107218 0.60 CRHBP (0.33)
SCHEMBL5106087 0.58 HTR3E (0.42) KDM4ELMNAALDH1A1MAPTHTR3E
SCHEMBL17461385 0.58 ADRB1 (0.43) KDM4EHIF1AALDH1A1HPGDROCK2
SCHEMBL16766999 0.58 LMNA (0.36) KMT2ALMNAPOLBMAPT

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 KDM4E 962/4885KMT2A 960/4885S1PR2 2423/4885

“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.