SCHEMBL1058768

SCHEMBL1058768

O=c1[nH]cnc2cc(N[C@H]3CCCNC3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.65
ZAP70 P43403 7/20 0.65
JAK2 O60674 6/20 0.65
LYN P07948 5/20 0.65
IDH2 P48735 2/20 0.58
SLC2A1 P11166 1/20 0.52
LRRK2 Q5S007 1/20 0.48
CTSC P53634 1/20 0.45
RET P07949 1/20 0.44
FLT3 P36888 1/20 0.44
ALK Q9UM73 1/20 0.44
PIM1 P11309 1/20 0.43
KCNH2 Q12809 4/20 0.42
AURKB Q96GD4 3/20 0.42
MAPK3 P27361 2/20 0.42
MAPK1 P28482 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.41

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
SCHEMBL1057690 1.00 SYK (0.65) SYKZAP70JAK2LYNIDH2
SCHEMBL1060374 0.91 SYK (0.63) SYKZAP70JAK2LYNIDH2
SCHEMBL1053859 0.88 SYK (0.71) SYKZAP70JAK2LYNIDH2
SCHEMBL12928841 0.86 ZAP70 (0.60) SYKZAP70JAK2LYNIDH2
SCHEMBL1046298 0.86 ZAP70 (0.60) SYKZAP70JAK2LYNIDH2
SCHEMBL1056762 0.85 SYK (0.58) SYKZAP70JAK2LYNIDH2
SCHEMBL13745953 0.83 SYK (0.67) SYKZAP70JAK2LYNSLC2A1
SCHEMBL1053640 0.83 SYK (0.67) SYKZAP70JAK2LYNSLC2A1
SCHEMBL1051535 0.81 SYK (0.65) SYKZAP70JAK2LYNSLC2A1
SCHEMBL3403293 0.81 SYK (0.64) SYKZAP70JAK2LYNSLC2A1

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 18/4885ZAP70 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.