SCHEMBL3442000

SCHEMBL3442000

CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4ccc(F)c(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.63
IGF1R P08069 9/20 0.59
EGFR P00533 3/20 0.57
ERBB2 P04626 3/20 0.57
AURKA O14965 1/20 0.56
KDR P35968 1/20 0.56
AURKB Q96GD4 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
INSR P06213 1/20 0.54
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MAPK10 P53779 1/20 0.49
PKMYT1 Q99640 1/20 0.48
HDAC1 Q13547 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
SCHEMBL3442344 0.93 SLC2A1 (0.72) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442152 0.91 IGF1R (0.57) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442091 0.90 SLC2A1 (0.76) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3441745 0.88 SLC2A1 (0.64) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442187 0.88 SLC2A1 (0.74) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3541331 0.87 IGF1R (0.52) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442310 0.86 SLC2A1 (0.52) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442060 0.85 SLC2A1 (0.67) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL3442173 0.85 SLC2A1 (0.61) SLC2A1IGF1REGFRERBB2AURKA
SCHEMBL5229420 0.85 SLC2A1 (0.55) SLC2A1IGF1REGFRERBB2AURKA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US 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
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 (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-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 SLC2A1 3810/4885IGF1R 245/4885EGFR 4/4885

“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.