SCHEMBL3546594

SCHEMBL3546594

CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4cccc(F)c34)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.52
INSR P06213 1/20 0.48
SLC2A1 P11166 4/20 0.47
EGFR P00533 4/20 0.47
ERBB2 P04626 4/20 0.47
CDK19 Q9BWU1 2/20 0.47
PTK2 Q05397 1/20 0.47
KDR P35968 2/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
ROS1 P08922 1/20 0.41

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
SCHEMBL3540612 0.90 SLC2A1 (0.53) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3539635 0.88 IGF1R (0.47) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3541273 0.88 SLC2A1 (0.48) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3441873 0.87 SLC2A1 (0.60) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3545165 0.87 SLC2A1 (0.56) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3541069 0.86 IGF1R (0.46) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3541331 0.85 IGF1R (0.52) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL3542767 0.83 SLC2A1 (0.59) IGF1RINSRSLC2A1EGFRERBB2
SCHEMBL1640319 0.83 IGF1R (0.49) IGF1RINSREGFRERBB2CDK19
SCHEMBL1786167 0.82 IGF1R (0.67) IGF1RINSREGFRERBB2CDK19

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 245/4885INSR 883/4885SLC2A1 3810/4885

“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.