SCHEMBL3540532

SCHEMBL3540532

CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5cc(F)ccc45)n3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.55
IGF1R P08069 4/20 0.55
ERBB2 P04626 3/20 0.55
BRAF P15056 6/20 0.51
AURKA O14965 2/20 0.49
KDR P35968 2/20 0.49
AURKB Q96GD4 2/20 0.49
CDK19 Q9BWU1 1/20 0.49
SLC2A1 P11166 4/20 0.45
IKBKB O14920 2/20 0.43
ACVR1 Q04771 3/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
FES P07332 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42

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 0.91 EGFR (0.60) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL3545435 0.88 EGFR (0.57) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL3542413 0.88 SLC2A1 (0.47) EGFRIGF1RERBB2AURKAKDR
SCHEMBL3442117 0.86 BRAF (0.67) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL3546202 0.84 AURKA (0.51) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL13140688 0.83 AURKA (0.55) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL3539635 0.83 IGF1R (0.47) EGFRIGF1RERBB2AURKAKDR
SCHEMBL13118787 0.83 AURKA (0.55) EGFRIGF1RERBB2BRAFAURKA
SCHEMBL13118784 0.82 KDR (0.60) EGFRIGF1RERBB2AURKAKDR
SCHEMBL3537602 0.82 EGFR (0.49) EGFRIGF1RERBB2BRAFAURKA

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 EGFR 4/4885IGF1R 245/4885ERBB2 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.