SCHEMBL3442012

SCHEMBL3442012

O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)c1cc(F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.55
AURKA O14965 1/20 0.53
KDR P35968 1/20 0.53
AURKB Q96GD4 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
PKMYT1 Q99640 1/20 0.46
MAPK8 P45983 4/20 0.45
MAPK9 P45984 4/20 0.45
MAPK10 P53779 1/20 0.45
LCLAT1 Q6UWP7 2/20 0.43
EGFR P00533 2/20 0.40
ERBB2 P04626 1/20 0.40
BRAF P15056 1/20 0.40
FADS1 O60427 1/20 0.39
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3442313 0.90 SLC2A1 (0.67) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441847 0.89 SLC2A1 (0.68) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442230 0.89 SLC2A1 (0.64) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442237 0.86 MAPK8 (0.55) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442233 0.86 SLC2A1 (0.63) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442153 0.86 SLC2A1 (0.60) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3443186 0.84 AURKA (0.60) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441921 0.84 SLC2A1 (0.62) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442162 0.84 SLC2A1 (0.60) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3441975 0.84 SLC2A1 (0.51) 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 9 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
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
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.