SCHEMBL3441964

SCHEMBL3441964

Nc1cccc(-c2nn3ccccc3c2-c2ccnc(NC3=COC=C(C4=CC=CCC4)O3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
MAPK9 P45984 4/20 0.36
MAPK8 P45983 3/20 0.36
MAPK10 P53779 2/20 0.36
JAK2 O60674 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GSK3B P49841 8/20 0.35
CAMK2D Q13557 1/20 0.35
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.33

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
SCHEMBL3441924 0.76 GSK3B (0.58) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441899 0.72 SLC2A1 (0.56) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441903 0.72 GSK3B (0.60) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL13105279 0.72 SLC2A1 (0.49) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3541216 0.70 SLC2A1 (0.50) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442129 0.70 AURKA (0.54) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441833 0.69 MAPK1 (0.43) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3534629 0.69 SLC2A1 (0.54) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL979608 0.68 MAOA (0.33)
SCHEMBL3538080 0.67 SLC2A1 (0.52) SLC2A1AURKAKDRAURKBCDK19

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 5 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
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
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 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-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 SLC2A1 3810/4885AURKA 168/4885KDR 11/4885

“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.