SCHEMBL3540387

SCHEMBL3540387

NCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.54
KDR P35968 6/20 0.50
AURKA O14965 4/20 0.50
AURKB Q96GD4 4/20 0.50
CDK19 Q9BWU1 2/20 0.50
IGF1R P08069 10/20 0.49
EGFR P00533 8/20 0.49
ERBB2 P04626 7/20 0.49
MAPK8 P45983 5/20 0.49
MAPK9 P45984 5/20 0.49
PTK2 Q05397 3/20 0.49
RET P07949 4/20 0.47
STK3 Q13188 4/20 0.47
MAP4K5 Q9Y4K4 4/20 0.47
CSF1R P07333 3/20 0.47
PRKD3 O94806 3/20 0.47
MAP4K4 O95819 3/20 0.47
INSR P06213 3/20 0.47
LCK P06239 3/20 0.47
FYN P06241 3/20 0.47

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
SCHEMBL3545797 0.92 SLC2A1 (0.58) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3543542 0.92 IGF1R (0.54) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3539614 0.90 SLC2A1 (0.57) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3536693 0.89 SLC2A1 (0.54) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3535687 0.89 SLC2A1 (0.52) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3539418 0.88 IGF1R (0.54) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3539318 0.88 SLC2A1 (0.51) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3543811 0.87 SLC2A1 (0.56) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL13118784 0.87 KDR (0.60) SLC2A1KDRAURKAAURKBCDK19
SCHEMBL3546062 0.87 KDR (0.55) SLC2A1KDRAURKAAURKBCDK19

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 7 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-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 11/4885AURKA 168/4885

“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.