SCHEMBL3442091

SCHEMBL3442091

CN(C)CCCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.76
KDR P35968 2/20 0.65
AURKB Q96GD4 2/20 0.65
AURKA O14965 1/20 0.65
CDK19 Q9BWU1 1/20 0.65
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
PKMYT1 Q99640 1/20 0.57
IGF1R P08069 11/20 0.56
MAPK10 P53779 1/20 0.55
EGFR P00533 2/20 0.53
ERBB2 P04626 2/20 0.53
INSR P06213 1/20 0.52
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47

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 0.97 SLC2A1 (0.72) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3442187 0.92 SLC2A1 (0.74) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441745 0.91 SLC2A1 (0.64) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3442060 0.91 SLC2A1 (0.67) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441977 0.90 SLC2A1 (0.82) SLC2A1KDRAURKBAURKACDK19
SCHEMBL13105583 0.90 SLC2A1 (0.80) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3442000 0.90 SLC2A1 (0.63) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441789 0.90 SLC2A1 (0.74) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3442173 0.89 SLC2A1 (0.61) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441873 0.89 SLC2A1 (0.60) SLC2A1KDRAURKBAURKACDK19

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 8 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
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP 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
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 3810/4885KDR 11/4885AURKB 228/4885

“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.