SCHEMBL3534340

SCHEMBL3534340

Cc1ccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
MAPK14 Q16539 3/20 0.41
GSK3B P49841 3/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
IGF1R P08069 2/20 0.39
MAPK3 P27361 1/20 0.39
SLC2A1 P11166 1/20 0.38
MAPK9 P45984 5/20 0.38
MAPK10 P53779 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
DYRK1A Q13627 1/20 0.38
AKT1 P31749 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL14515749 0.88 MAPK14 (0.41) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL3542508 0.88 GSK3B (0.46) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL3545328 0.87 MAPK1 (0.39) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL3441833 0.84 MAPK1 (0.43) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL8808262 0.82 GSK3B (0.49) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL12997420 0.80 GSK3B (0.50) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL3540125 0.79 SLC2A1 (0.41) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL13105284 0.77 SLC2A1 (0.47) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL5225491 0.75 SLC2A1 (0.41) MAPK1MAPK14GSK3BEGFRRAF1
SCHEMBL14515544 0.75 SLC2A1 (0.45) MAPK14GSK3BEGFRRAF1ADORA3

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 11 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
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 MAPK1 329/4885MAPK14 305/4885GSK3B 1240/4885

“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.