SCHEMBL3539418

SCHEMBL3539418

CN(C)CCNCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.54
EGFR P00533 9/20 0.54
ERBB2 P04626 8/20 0.54
PTK2 Q05397 3/20 0.54
CDK19 Q9BWU1 2/20 0.54
MAPK8 P45983 5/20 0.51
MAPK9 P45984 5/20 0.51
SLC2A1 P11166 4/20 0.51
MAPK10 P53779 1/20 0.49
KDR P35968 7/20 0.46
AURKB Q96GD4 5/20 0.46
AURKA O14965 4/20 0.46
RET P07949 5/20 0.44
STK3 Q13188 5/20 0.44
MAP4K5 Q9Y4K4 5/20 0.44
CSF1R P07333 4/20 0.44
MAP4K2 Q12851 4/20 0.44
FLT1 P17948 3/20 0.44
PRKD3 O94806 4/20 0.44
MAP4K4 O95819 4/20 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
SCHEMBL3543542 0.92 IGF1R (0.54) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3543811 0.91 SLC2A1 (0.56) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3540387 0.88 SLC2A1 (0.54) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3540612 0.88 SLC2A1 (0.53) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3545165 0.88 SLC2A1 (0.56) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3545797 0.87 SLC2A1 (0.58) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3535687 0.86 SLC2A1 (0.52) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3539829 0.86 SLC2A1 (0.62) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3539614 0.85 SLC2A1 (0.57) IGF1REGFRERBB2PTK2CDK19
SCHEMBL3538221 0.85 SLC2A1 (0.55) IGF1REGFRERBB2PTK2CDK19

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 IGF1R 245/4885EGFR 4/4885ERBB2 1/4885

“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.