SCHEMBL3542508

SCHEMBL3542508

Nc1cc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.46
MAPK14 Q16539 2/20 0.46
EGFR P00533 1/20 0.46
RAF1 P04049 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC2A1 P11166 3/20 0.42
MAPK1 P28482 5/20 0.39
IGF1R P08069 2/20 0.39
MAPK3 P27361 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL3534340 0.88 MAPK1 (0.41) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL14515749 0.88 MAPK14 (0.41) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL3545328 0.85 MAPK1 (0.39) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL3441833 0.84 MAPK1 (0.43) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL8808262 0.82 GSK3B (0.49) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL3441984 0.80 SLC2A1 (0.43) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL3442312 0.79 SLC2A1 (0.55) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5225154 0.78 SLC2A1 (0.46) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5384464 0.78 MAPK14 (0.60) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL4757836 0.78 SLC2A1 (0.38) GSK3BMAPK14EGFRRAF1ADORA3

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 GSK3B 1240/4885MAPK14 305/4885EGFR 4/4885

“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.