SCHEMBL1047700

SCHEMBL1047700

O=c1[nH]cnc2cc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.57
ZAP70 P43403 9/20 0.55
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
JAK2 O60674 3/20 0.50
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRC P12931 1/20 0.46
TSHR P16473 1/20 0.45
NR4A1 P22736 1/20 0.45
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
TP53 P04637 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
SCHEMBL1059533 0.89 SYK (0.47) SYKZAP70JAK2
SCHEMBL1054424 0.88 SYK (0.58) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1058077 0.88 SYK (0.47) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1051560 0.87 SYK (0.75) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL11498737 0.86 SYK (0.45) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1058392 0.85 ZAP70 (0.75) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1060495 0.85 ZAP70 (0.62) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1053661 0.84 ZAP70 (0.61) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1057799 0.84 ZAP70 (0.73) SYKZAP70PIK3CDPIK3CAPIK3CB
SCHEMBL1058728 0.84 SYK (0.56) SYKZAP70PIK3CDPIK3CAPIK3CB

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 16 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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 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-8354526-B2 Pyrido [4, 3-D] pyrimidinone derivatives as kinase inhibitors IRM LLC (BM) 2013-01-15 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS 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
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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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 (2 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET SYK 2/4885ZAP70 4/4885PIK3CD 107/4885
US-20110003790-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS ZAP70, FLT3, LCK SYK 18/4885ZAP70 1/4885PIK3CD 225/4885

“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.