SCHEMBL782143

SCHEMBL782143

c1cc(CNc2cnc3cc(-c4cn[nH]c4)ccc3n2)cc(N2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 1/20 0.41
KARS1 Q15046 1/20 0.40
CHEK1 O14757 1/20 0.40
CDK7 P50613 1/20 0.40
HTR7 P34969 4/20 0.39
HTR1A P08908 3/20 0.39
ACHE P22303 1/20 0.39
PRKD1 Q15139 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37

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
SCHEMBL781815 0.90 ROCK1 (0.42) MAP4K4ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL782867 0.90 SYK (0.44) MAP4K4ROCK2ROCK1CHEK1
Hydrochloric Acid SCHEMBL16161637 0.89 ROCK1 (0.41) MAP4K4ROCK2ROCK1PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL16161694 0.89 SYK (0.44) MAP4K4ROCK2ROCK1CHEK1
SCHEMBL780356 0.81 PDGFRB (0.56) ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL781920 0.81 ROCK2 (0.43) ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL780558 0.81 ROCK2 (0.51) MAP4K4ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL782152 0.81 ROCK2 (0.55) ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL780371 0.81 ROCK2 (0.51) ROCK2PDGFRBPDGFRAPIM1PIM3
SCHEMBL782031 0.80 SYK (0.49) CHEK1CDK7

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
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP claimed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US claimed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US claimed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO claimed

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-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 MAP4K4 81/4885ROCK2 733/4885ROCK1 699/4885

“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.