SCHEMBL1058458

SCHEMBL1058458

CC1CCCN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)nc3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
SYK P43405 8/20 0.45
BTK Q06187 3/20 0.43
ZAP70 P43403 1/20 0.43
KCNH2 Q12809 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
FLT3 P36888 1/20 0.41
ADRA1A P35348 1/20 0.40
PTK6 Q13882 1/20 0.39

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
SCHEMBL1057874 0.91 ZAP70 (0.46) JAK2SYKBTKZAP70KCNH2
SCHEMBL13746496 0.88 ZAP70 (0.45) JAK2SYKBTKZAP70KCNH2
SCHEMBL1060202 0.88 ZAP70 (0.45) JAK2SYKBTKZAP70KCNH2
SCHEMBL1056395 0.88 ZAP70 (0.45) JAK2SYKBTKZAP70KCNH2
SCHEMBL13746494 0.88 ZAP70 (0.45) JAK2SYKBTKZAP70KCNH2
SCHEMBL1053641 0.87 SYK (0.56) JAK2SYKZAP70JAK1JAK3
SCHEMBL1057940 0.85 ZAP70 (0.44) JAK2SYKBTKZAP70KCNH2
SCHEMBL1057114 0.84 SYK (0.45) JAK2SYKBTKZAP70KCNH2
SCHEMBL1058717 0.84 ZAP70 (0.46) JAK2SYKZAP70JAK1JAK3
SCHEMBL1056757 0.84 SYK (0.45) JAK2SYKBTKZAP70JAK1

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 JAK2 58/4885SYK 18/4885BTK 81/4885

“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.