SCHEMBL3537746

SCHEMBL3537746

Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(Cl)c(OCCN4CCCC4)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.47
BACE1 P56817 3/20 0.46
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
GSK3B P49841 4/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
AXL P30530 1/20 0.41
CAMK2D Q13557 1/20 0.41
AIMP2 Q13155 1/20 0.41
MAPK10 P53779 1/20 0.41
ACVR1 Q04771 2/20 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
SCHEMBL14515387 0.92 SLC2A1 (0.48) SLC2A1BACE1AURKAKDRAURKB
SCHEMBL3441931 0.88 AIMP2 (0.50) SLC2A1BACE1AURKAKDRAURKB
SCHEMBL3539079 0.87 SLC2A1 (0.52) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3539765 0.85 SLC2A1 (0.51) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3537773 0.84 SLC2A1 (0.46) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3545195 0.83 SLC2A1 (0.50) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441924 0.79 GSK3B (0.58) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3541981 0.79 SLC2A1 (0.58) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL14878918 0.78 SLC2A1 (0.48) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442129 0.77 AURKA (0.54) 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 7 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-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

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 SLC2A1 3810/4885BACE1 3554/4885AURKA 168/4885

“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.