SCHEMBL780984

SCHEMBL780984

CC(C)(C)OC(=O)n1cc(-c2ccc3nc(NCc4cccc(Cl)c4)n[n+]([O-])c3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
BRD4 O60885 7/20 0.38
EGLN1 Q9GZT9 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TP53 P04637 1/20 0.36
ROCK2 O75116 1/20 0.35
SCD O00767 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE2A O00408 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34

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
SCHEMBL780264 0.81 SCD (0.39) BRD4EGLN1TP53ROCK2SCD
SCHEMBL4589004 0.79 ROCK2 (0.45) ROCK2SCD
SCHEMBL779756 0.75 ROCK2 (0.48) BRD4ROCK2
SCHEMBL23804708 0.74 SCD (0.49) IDO1EGLN1JAK2JAK1TP53
SCHEMBL781898 0.71 MAPK1 (0.47) ROCK2SCD
SCHEMBL29467187 0.70 SCD (0.43) TP53SCDADORA2A
SCHEMBL28719227 0.70 SCD (0.43) TP53SCDADORA2A
SCHEMBL780128 0.67 PFKFB3 (0.38) ROCK2SCD
SCHEMBL781886 0.65 ROCK2 (0.55) ROCK2
SCHEMBL30512133 0.65 ROCK2 (0.45) ROCK2SCD

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 disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 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-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 IDO1 3056/4885BRD4 806/4885EGLN1 1793/4885

“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.