SCHEMBL1053445

SCHEMBL1053445

O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.60
ZAP70 P43403 4/20 0.60
JAK2 O60674 3/20 0.60
LYN P07948 1/20 0.60
FLT3 P36888 1/20 0.47
ADORA3 P0DMS8 5/20 0.46
IRAK4 Q9NWZ3 6/20 0.46
MEN1 O00255 1/20 0.46
AURKA O14965 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
TTK P33981 1/20 0.46
JAK3 P52333 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKB Q96GD4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AURKC Q9UQB9 1/20 0.46
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45

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
SCHEMBL1053861 1.00 SYK (0.60) SYKZAP70JAK2LYNFLT3
SCHEMBL1058393 0.95 ZAP70 (0.53) SYKZAP70JAK2LYNADORA3
SCHEMBL1058404 0.95 ZAP70 (0.53) SYKZAP70JAK2LYNADORA3
SCHEMBL1059213 0.92 SYK (0.51) SYKZAP70JAK2LYNADORA3
SCHEMBL1056396 0.91 SYK (0.59) SYKZAP70JAK2LYNFLT3
SCHEMBL1059224 0.91 ADORA3 (0.55) SYKZAP70JAK2LYNADORA3
SCHEMBL1056401 0.91 SYK (0.57) SYKZAP70JAK2LYNFLT3
SCHEMBL1044187 0.87 ZAP70 (0.61) SYKZAP70JAK2LYNFLT3
SCHEMBL1049008 0.87 ZAP70 (0.61) SYKZAP70JAK2LYNFLT3
SCHEMBL12928842 0.87 ZAP70 (0.61) SYKZAP70JAK2LYNFLT3

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 12 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

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 18/4885ZAP70 1/4885JAK2 58/4885

“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.