SCHEMBL3539079

SCHEMBL3539079

CN(C)CCOc1cc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.52
MAPK8 P45983 6/20 0.49
MAPK9 P45984 6/20 0.49
MAPK10 P53779 1/20 0.47
GSK3B P49841 5/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
CAMK2D Q13557 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDK5 Q00535 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
IGF1R P08069 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40

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
SCHEMBL3538080 0.89 SLC2A1 (0.52) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3537238 0.88 MAPK8 (0.51) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3537773 0.88 SLC2A1 (0.46) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3537746 0.87 SLC2A1 (0.47) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3442165 0.85 SLC2A1 (0.54) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3538221 0.83 SLC2A1 (0.55) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL14878918 0.82 SLC2A1 (0.48) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3534629 0.82 SLC2A1 (0.54) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3542273 0.81 SLC2A1 (0.58) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13140694 0.80 SLC2A1 (0.46) SLC2A1MAPK8MAPK9MAPK10AURKA

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
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
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.