SCHEMBL1053640

SCHEMBL1053640

O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3ccncc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.67
JAK2 O60674 8/20 0.67
ZAP70 P43403 8/20 0.67
LYN P07948 7/20 0.67
RET P07949 1/20 0.44
FLT3 P36888 1/20 0.44
ALK Q9UM73 1/20 0.44
KCNH2 Q12809 4/20 0.44
AURKB Q96GD4 3/20 0.44
SLC2A1 P11166 1/20 0.44
BRD4 O60885 1/20 0.43
PRKCI P41743 1/20 0.40
PRKCZ Q05513 3/20 0.39
PRKD2 Q9BZL6 3/20 0.39
MAPK3 P27361 2/20 0.39
MAPK1 P28482 2/20 0.39
IP6K1 Q92551 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38

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
SCHEMBL1053859 0.91 SYK (0.71) SYKJAK2ZAP70LYNRET
SCHEMBL13745953 0.91 SYK (0.67) SYKJAK2ZAP70LYNRET
SCHEMBL1060374 0.89 SYK (0.63) SYKJAK2ZAP70LYNRET
SCHEMBL3403293 0.88 SYK (0.64) SYKJAK2ZAP70LYNRET
SCHEMBL1051535 0.85 SYK (0.65) SYKJAK2ZAP70LYNRET
SCHEMBL1053861 0.84 SYK (0.60) SYKJAK2ZAP70LYNFLT3
SCHEMBL1053445 0.84 SYK (0.60) SYKJAK2ZAP70LYNFLT3
SCHEMBL1056762 0.84 SYK (0.58) SYKJAK2ZAP70LYNRET
SCHEMBL1056396 0.84 SYK (0.59) SYKJAK2ZAP70LYNRET
SCHEMBL1057690 0.83 SYK (0.65) SYKJAK2ZAP70LYNRET

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US claimed
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2250169-A1 PYRIDO [4, 3-D]PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-17 EP claimed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO claimed
US-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US disclosed
US-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US disclosed
US-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US disclosed
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2250169-A1 PYRIDO [4, 3-D]PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-17 EP disclosed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO disclosed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 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-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS ZAP70, FLT3, LCK SYK 18/4885JAK2 58/4885ZAP70 1/4885

“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.