SCHEMBL3442825

SCHEMBL3442825

N#Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.72
▸ KDR P35968 2/20 0.72
▸ AURKB Q96GD4 2/20 0.72
▸ CDK19 Q9BWU1 1/20 0.72
▸ SLC2A1 P11166 4/20 0.72
▸ PKMYT1 Q99640 1/20 0.62
▸ MAPK9 P45984 3/20 0.53
▸ MAPK8 P45983 2/20 0.53
▸ MAPK10 P53779 1/20 0.51
▸ IGF1R P08069 8/20 0.51
▸ BRAF P15056 2/20 0.49
▸ EGFR P00533 6/20 0.47
▸ ERBB2 P04626 6/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46

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
SCHEMBL13105409 0.91 SLC2A1 (0.72) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL3442634 0.91 SLC2A1 (0.82) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL3442268 0.90 SLC2A1 (0.76) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL3443186 0.90 AURKA (0.60) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL3442899 0.89 SLC2A1 (0.75) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL13105434 0.89 SLC2A1 (0.71) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL13105438 0.89 SLC2A1 (0.82) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL13105416 0.89 SLC2A1 (0.69) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL3441765 0.89 SLC2A1 (0.77) AURKAKDRAURKBCDK19SLC2A1
SCHEMBL13105481 0.88 SLC2A1 (0.57) AURKAKDRAURKBCDK19SLC2A1

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.

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