SCHEMBL3442001

SCHEMBL3442001

NC(=O)c1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.57
▸ IGF1R P08069 1/20 0.55
▸ SLC2A1 P11166 4/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ AURKA O14965 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ CDK19 Q9BWU1 1/20 0.51
▸ MAPK8 P45983 4/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ MAPK10 P53779 2/20 0.50
▸ CDK4 P11802 1/20 0.47
▸ PIK3CG P48736 1/20 0.45
▸ CAMKK2 Q96RR4 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL3442267 0.89 SLC2A1 (0.62) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3441903 0.89 GSK3B (0.60) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3442256 0.88 SLC2A1 (0.58) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL13848117 0.87 GSK3B (0.59) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3441920 0.87 MAPK8 (0.60) GSK3BSLC2A1CDK2AURKAKDR
SCHEMBL3442796 0.86 SLC2A1 (0.57) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3441923 0.85 GSK3B (0.56) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3441895 0.85 SLC2A1 (0.57) GSK3BIGF1RSLC2A1AURKAKDR
SCHEMBL3442073 0.85 GSK3B (0.51) GSK3BIGF1RSLC2A1CDK2AURKA
SCHEMBL3442412 0.85 SLC2A1 (0.57) GSK3BIGF1RSLC2A1CDK2AURKA

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
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 — — US disclosed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 — — EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 — — 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-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 GSK3B 1240/4885IGF1R 245/4885SLC2A1 3810/4885

“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.

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