SCHEMBL3545435

SCHEMBL3545435

CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5cccc(F)c45)n3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.57
ERBB2 P04626 7/20 0.57
IGF1R P08069 7/20 0.57
BRAF P15056 6/20 0.55
AURKA O14965 2/20 0.51
KDR P35968 2/20 0.51
AURKB Q96GD4 2/20 0.51
CDK19 Q9BWU1 1/20 0.51
SLC2A1 P11166 4/20 0.47
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
FES P07332 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
FER P16591 1/20 0.43
FLT1 P17948 1/20 0.43

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
SCHEMBL3538140 0.90 EGFR (0.60) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL13141332 0.88 BRAF (0.55) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL3540532 0.88 EGFR (0.55) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL3541273 0.87 SLC2A1 (0.48) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3441988 0.87 BRAF (0.71) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL3546202 0.84 AURKA (0.51) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL1788477 0.83 BRAF (0.71) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL3546594 0.82 IGF1R (0.52) EGFRERBB2IGF1RAURKAKDR
SCHEMBL13140688 0.82 AURKA (0.55) EGFRERBB2IGF1RBRAFAURKA
SCHEMBL13118787 0.82 AURKA (0.55) EGFRERBB2IGF1RBRAFAURKA

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

“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.