SCHEMBL1058535

SCHEMBL1058535

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
CDK1 P06493 2/20 0.46
KDR P35968 3/20 0.45
MAPT P10636 1/20 0.41
LRRK2 Q5S007 1/20 0.41
TRPA1 O75762 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ1 P51787 1/20 0.40
SCN5A Q14524 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EGFR P00533 1/20 0.40
EPHX2 P34913 2/20 0.39
ZAP70 P43403 1/20 0.38
CNR1 P21554 1/20 0.38
TEK Q02763 1/20 0.38

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
SCHEMBL1058856 0.89 LRRK2 (0.52) PARP1MAPTLRRK2EGFRZAP70
SCHEMBL1059335 0.84 PARP1 (0.44) PARP1MAPTJAK2ZAP70
SCHEMBL1057076 0.81 JAK1 (0.41) PARP1KDRJAK2JAK1EGFR
SCHEMBL1057202 0.81 SYK (0.45) JAK2JAK1EGFR
SCHEMBL24745795 0.78 TYK2 (0.41) KDRMAPTEGFRZAP70
SCHEMBL1056394 0.77 CDK1 (0.49) CDK1MAPTJAK2JAK1
SCHEMBL1057075 0.77 BRAF (0.55) PARP1LRRK2JAK2EGFRZAP70
SCHEMBL1047700 0.77 SYK (0.57) MAPTJAK2ZAP70
SCHEMBL1059533 0.76 SYK (0.47) KDRLRRK2JAK2EGFRZAP70
SCHEMBL11498737 0.76 SYK (0.45) JAK2ZAP70

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 8 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-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 PARP1 1016/4885CDK1 334/4885KDR 33/4885

“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.