SCHEMBL1059836

SCHEMBL1059836

CN1CCN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.60
SYK P43405 4/20 0.55
AURKA O14965 1/20 0.50
JAK2 O60674 4/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
BRD4 O60885 2/20 0.43

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
SCHEMBL1053641 0.88 SYK (0.56) ZAP70SYKJAK2
SCHEMBL1059719 0.85 ZAP70 (0.51) ZAP70SYKJAK2PIK3CDPIK3CA
SCHEMBL1059533 0.84 SYK (0.47) ZAP70SYKAURKAJAK2BRD4
SCHEMBL1054424 0.84 SYK (0.58) ZAP70SYKJAK2PIK3CDPIK3CA
SCHEMBL1047700 0.83 SYK (0.57) ZAP70SYKJAK2PIK3CDPIK3CA
SCHEMBL1059236 0.83 SRC (0.57) ZAP70SYKJAK2
SCHEMBL1051560 0.82 SYK (0.75) ZAP70SYKJAK2PIK3CDPIK3CA
SCHEMBL1058728 0.82 SYK (0.56) ZAP70SYKJAK2PIK3CDPIK3CA
SCHEMBL1057174 0.81 ZAP70 (0.62) ZAP70SYKJAK2
SCHEMBL12932360 0.81 ZAP70 (0.45) ZAP70SYKJAK2PIK3CDPIK3CA

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 11 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
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 ZAP70 1/4885SYK 18/4885AURKA 118/4885

“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.