SCHEMBL3537773

SCHEMBL3537773

CN1CCC(N(C)CCOc2cc(Nc3nccc(-c4c(-c5cccc(N)c5)nn5ccccc45)n3)ccc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
MAPK8 P45983 10/20 0.44
MAPK9 P45984 10/20 0.44
MAPK10 P53779 1/20 0.41
GSK3B P49841 5/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
CDK19 Q9BWU1 1/20 0.39

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
SCHEMBL14878918 0.94 SLC2A1 (0.48) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13140694 0.93 SLC2A1 (0.46) SLC2A1MAPK8MAPK9MAPK10PIKFYVE
SCHEMBL3539079 0.88 SLC2A1 (0.52) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3543760 0.85 SLC2A1 (0.49) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3537746 0.84 SLC2A1 (0.47) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL14515387 0.77 SLC2A1 (0.48) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3538080 0.77 SLC2A1 (0.52) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3537238 0.77 MAPK8 (0.51) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3442165 0.75 SLC2A1 (0.54) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3442129 0.74 AURKA (0.54) 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 5 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-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

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.