SCHEMBL3534629

SCHEMBL3534629

CN(C)Cc1cccc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.54
MAPK8 P45983 2/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 1/20 0.52
CDK19 Q9BWU1 2/20 0.46
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
AURKB Q96GD4 1/20 0.46
CAMK2D Q13557 1/20 0.45
GSK3B P49841 7/20 0.44
CDK2 P24941 2/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
CDK4 P11802 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL3534269 0.89 SLC2A1 (0.55) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3441924 0.87 GSK3B (0.58) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3537238 0.86 MAPK8 (0.51) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3442165 0.86 SLC2A1 (0.54) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3541950 0.85 SLC2A1 (0.59) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3441899 0.85 SLC2A1 (0.56) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3538080 0.83 SLC2A1 (0.52) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3543141 0.83 SLC2A1 (0.55) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL3543887 0.83 SLC2A1 (0.55) SLC2A1MAPK8MAPK9MAPK10CDK19
SCHEMBL14874783 0.83 MAPK8 (0.51) SLC2A1MAPK8MAPK9MAPK10CDK19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 SLC2A1 3810/4885MAPK8 263/4885MAPK9 203/4885

“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.