SCHEMBL5113663

SCHEMBL5113663

c1ccc2nc(Nc3ccc(N4CCNCC4)nc3)nnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
MYLK4 Q86YV6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HTR3B O95264 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HTT P42858 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL5106125 0.82 KDM1A (0.62) STK17AALDH1A1HTR3EHTR3BADRB1
SCHEMBL21275378 0.80 PLD1 (0.55) SRCMYLK4CLK4STK17ATBK1
SCHEMBL5113643 0.80 MYLK4 (0.43) SRCMYLK4CLK4STK17ATBK1
SCHEMBL5118157 0.76 CDK4 (0.59) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL4071138 0.72 ROCK1 (0.61) MYLK4CLK4STK17ATBK1ALDH1A1
SCHEMBL16513492 0.72 MAPK10 (0.54) SRCMYLK4CLK4STK17ATBK1
SCHEMBL29847869 0.71 ACVR1 (0.51) SRCMYLK4CLK4STK17ATBK1
SCHEMBL16513516 0.71 ACVR1 (0.51) SRCMYLK4CLK4STK17ATBK1
SCHEMBL29618395 0.71 ACVR1 (0.70) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL29576526 0.71 WEE1 (0.56) ALDH1A1HTR3EKDM4EHTR3BCYP1A2

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 SRC 491/4885MYLK4 824/4885CLK4 372/4885

“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.