SCHEMBL3442247

SCHEMBL3442247

CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6ccccc6)c5)nn5ccccc45)n3)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.65
KDR P35968 1/20 0.65
AURKB Q96GD4 1/20 0.65
CDK19 Q9BWU1 1/20 0.65
MAPK8 P45983 2/20 0.60
MAPK9 P45984 2/20 0.60
MAPK10 P53779 1/20 0.60
BRAF P15056 6/20 0.60
SLC2A1 P11166 4/20 0.60
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
IGF1R P08069 2/20 0.54
ABL1 P00519 2/20 0.48
PDGFRB P09619 2/20 0.48
BCR P11274 2/20 0.48
SRC P12931 2/20 0.48
PDGFRA P16234 2/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL13121401 0.92 AURKA (0.64) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3442649 0.91 AURKA (0.79) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3442114 0.90 AURKA (0.63) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3441826 0.89 KDR (0.63) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3441898 0.89 AURKA (0.66) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3441882 0.88 AURKA (0.84) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3538140 0.86 EGFR (0.60) AURKAKDRAURKBCDK19MAPK8
SCHEMBL3442129 0.85 AURKA (0.54) AURKAKDRAURKBCDK19MAPK8
SCHEMBL14267260 0.84 MAPK8 (0.67) AURKAKDRAURKBCDK19MAPK8
SCHEMBL5227243 0.84 SLC2A1 (0.64) AURKAKDRAURKBCDK19MAPK8

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
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

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 AURKA 168/4885KDR 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.