SCHEMBL3535975

SCHEMBL3535975

Cc1ccc2c(-c3ccnc(Nc4cccc(CN5CCCC5)c4)n3)c(-c3cccc(NC(=O)Cc4cccs4)c3)nn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.46
JAK3 P52333 2/20 0.45
JAK2 O60674 1/20 0.45
EGFR P00533 7/20 0.44
ERBB2 P04626 6/20 0.44
RET P07949 4/20 0.44
KDR P35968 4/20 0.44
STK3 Q13188 4/20 0.44
MAP4K5 Q9Y4K4 4/20 0.44
SYK P43405 4/20 0.44
AURKA O14965 3/20 0.44
PRKD3 O94806 3/20 0.44
MAP4K4 O95819 3/20 0.44
INSR P06213 3/20 0.44
LCK P06239 3/20 0.44
FYN P06241 3/20 0.44
LYN P07948 3/20 0.44
FGFR1 P11362 3/20 0.44
FLT4 P35916 3/20 0.44
FRK P42685 3/20 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
SCHEMBL14874910 0.91 GSK3B (0.49) IGF1RJAK3JAK2EGFRERBB2
SCHEMBL3537295 0.85 SLC2A1 (0.45) IGF1RJAK3JAK2EGFRERBB2
SCHEMBL3538022 0.84 IGF1R (0.49) IGF1RJAK3JAK2EGFRERBB2
SCHEMBL3541069 0.83 IGF1R (0.46) IGF1REGFRERBB2INSRMAPK8
SCHEMBL1641750 0.83 IGF1R (0.51) IGF1RJAK3JAK2EGFRERBB2
SCHEMBL3537688 0.83 KMT2A (0.49) EGFRKMT2AMEN1POLBRECQL
SCHEMBL3543911 0.82 SLC2A1 (0.49) IGF1RJAK3JAK2EGFRERBB2
SCHEMBL3542413 0.81 SLC2A1 (0.47) IGF1REGFRERBB2RETKDR
SCHEMBL3543542 0.81 IGF1R (0.54) IGF1RJAK3EGFRERBB2RET
SCHEMBL3540387 0.80 SLC2A1 (0.54) IGF1RJAK3EGFRERBB2RET

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 12 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
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

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 245/4885JAK3 67/4885JAK2 21/4885

“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.