SCHEMBL3546629

SCHEMBL3546629

COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CC(N(C)C)C4)n2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.44
KDR P35968 4/20 0.43
AURKB Q96GD4 4/20 0.43
AURKA O14965 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
MAPK8 P45983 9/20 0.42
MAPK9 P45984 9/20 0.42
MAPK10 P53779 1/20 0.41
CSF1R P07333 3/20 0.40
IGF1R P08069 3/20 0.40
STK3 Q13188 3/20 0.40
MAP4K5 Q9Y4K4 3/20 0.40
LCK P06239 2/20 0.40
RET P07949 2/20 0.40
FLT1 P17948 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 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
SCHEMBL3541168 0.92 KDR (0.48) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3541687 0.89 KDR (0.53) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3537310 0.88 IGF1R (0.48) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3537903 0.84 INSR (0.51) SLC2A1KDRAURKBAURKACDK19
SCHEMBL14515550 0.83 SLC2A1 (0.46) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3536782 0.81 SLC2A1 (0.45) SLC2A1KDRAURKBMAPK8MAPK9
SCHEMBL3546062 0.81 KDR (0.55) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3537938 0.81 MEN1 (0.47) MEN1POLBKMT2AL3MBTL1
SCHEMBL3537500 0.81 EGFR (0.46) SLC2A1KDRAURKBMAPK8MAPK9
SCHEMBL3537602 0.80 EGFR (0.49) SLC2A1KDRAURKBAURKACDK19

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 10 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 claimed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US claimed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US claimed
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

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 3810/4885KDR 11/4885AURKB 228/4885

“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.