SCHEMBL5113643

SCHEMBL5113643

[O-][n+]1nc(Nc2ccc(N3CCNCC3)nc2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK4 Q86YV6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
WEE1 P30291 1/20 0.42
CDK4 P11802 3/20 0.42
CDK6 Q00534 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL5104884 0.84 KDM1A (0.55) STK17AWEE1CDK4CDK6ALDH1A1
SCHEMBL5105082 0.81 KCNH2 (0.41) MYLK4CLK4STK17ATBK1KCNH2
SCHEMBL5113663 0.80 SRC (0.52) MYLK4CLK4STK17ATBK1KCNH2
SCHEMBL5111993 0.80 MARK3 (0.45) CDK4CDK6ALDH1A1HTR1AHTR7
SCHEMBL5118866 0.79 CDK4 (0.53) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL5111378 0.79 DDB1 (0.48) CDK6KMT2ADDB1CRBN
SCHEMBL21275378 0.75 PLD1 (0.55) MYLK4CLK4STK17ATBK1KCNH2
SCHEMBL14078747 0.74 KCNH2 (0.40) MYLK4CLK4STK17ATBK1KCNH2
SCHEMBL5116493 0.73 CA12 (0.52) SRC
SCHEMBL11614873 0.72 ALDH1A1 (0.49) ALDH1A1HTR3EKDM4EUSP2HTR3B

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
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US 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 MYLK4 824/4885CLK4 372/4885STK17A 65/4885

“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.