SCHEMBL3537602

SCHEMBL3537602

Cc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
IGF1R P08069 1/20 0.49
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
SLC2A1 P11166 4/20 0.44
BRAF P15056 6/20 0.44
IKBKB O14920 1/20 0.43
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 1/20 0.41
ABCB1 P08183 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
LCK P06239 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3546202 0.93 AURKA (0.51) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3537310 0.92 IGF1R (0.48) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3538140 0.91 EGFR (0.60) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3537295 0.84 SLC2A1 (0.45) EGFRERBB2IGF1RAURKAKDR
SCHEMBL13118784 0.82 KDR (0.60) EGFRERBB2IGF1RAURKAKDR
SCHEMBL13140688 0.82 AURKA (0.55) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3540532 0.82 EGFR (0.55) EGFRERBB2IGF1RAURKAKDR
SCHEMBL13118787 0.82 AURKA (0.55) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3540212 0.81 SLC2A1 (0.46) EGFRERBB2IGF1RAURKAKDR
SCHEMBL3540576 0.81 MEN1 (0.49) SLC2A1MEN1ALDH1A1CYP1A2HPGD

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 13 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
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.