SCHEMBL3442188

SCHEMBL3442188

CN(C)C1Cc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nn5ccccc45)n3)cc2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.74
▸ AURKB Q96GD4 3/20 0.74
▸ AURKA O14965 2/20 0.74
▸ CDK19 Q9BWU1 1/20 0.74
▸ SLC2A1 P11166 4/20 0.69
▸ PKMYT1 Q99640 1/20 0.60
▸ MAPK9 P45984 3/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ BRAF P15056 3/20 0.54
▸ MAPK10 P53779 1/20 0.53
▸ IGF1R P08069 8/20 0.49
▸ EGFR P00533 6/20 0.49
▸ ERBB2 P04626 6/20 0.49
▸ GSK3B P49841 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ FYN P06241 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ RET P07949 2/20 0.44

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
SCHEMBL3441995 0.92 AURKA (0.63) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3442668 0.91 AURKA (0.76) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3442956 0.88 AURKA (0.71) KDRAURKBAURKACDK19SLC2A1
SCHEMBL13105597 0.88 AURKA (0.77) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3442649 0.86 AURKA (0.79) KDRAURKBAURKACDK19SLC2A1
SCHEMBL13105438 0.86 SLC2A1 (0.82) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3442634 0.86 SLC2A1 (0.82) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3441765 0.85 SLC2A1 (0.77) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3442268 0.85 SLC2A1 (0.76) KDRAURKBAURKACDK19SLC2A1
SCHEMBL3443005 0.85 AURKA (1.00) KDRAURKBAURKACDK19SLC2A1

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 10 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 claimed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP claimed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US claimed
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 KDR 11/4885AURKB 228/4885AURKA 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.

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