SCHEMBL3442152

SCHEMBL3442152

CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4ccc(F)c(NC(=O)C(F)(F)F)c4)nn4ccccc34)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.57
EGFR P00533 2/20 0.57
ERBB2 P04626 2/20 0.57
SLC2A1 P11166 4/20 0.53
INSR P06213 1/20 0.51
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
MAPK10 P53779 1/20 0.48
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
GSK3B P49841 2/20 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
SCHEMBL13848135 0.92 SLC2A1 (0.52) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3540982 0.91 SLC2A1 (0.58) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3442000 0.91 SLC2A1 (0.63) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3544675 0.88 SLC2A1 (0.54) IGF1REGFRERBB2SLC2A1MAPK8
SCHEMBL3541331 0.87 IGF1R (0.52) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3442310 0.86 SLC2A1 (0.52) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3442344 0.85 SLC2A1 (0.72) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL5229420 0.84 SLC2A1 (0.55) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3441745 0.83 SLC2A1 (0.64) IGF1REGFRERBB2SLC2A1INSR
SCHEMBL3442177 0.83 SLC2A1 (0.55) IGF1REGFRERBB2SLC2A1MAPK8

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 10 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-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 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
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 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 (2 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 245/4885EGFR 4/4885ERBB2 1/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 IGF1R 245/4885EGFR 4/4885ERBB2 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.