SCHEMBL3441885

SCHEMBL3441885

Nc1ccc(C(=O)Nc2cccc(-c3nn4ccccc4c3-c3ccnc(Nc4ccccc4)n3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.65
▸ MAPK8 P45983 2/20 0.65
▸ MAPK9 P45984 2/20 0.65
▸ MAPK10 P53779 1/20 0.63
▸ AURKA O14965 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ CDK19 Q9BWU1 1/20 0.58
▸ ABL1 P00519 6/20 0.58
▸ BCR P11274 6/20 0.58
▸ ABL2 P42684 1/20 0.58
▸ EGFR P00533 2/20 0.55
▸ ERBB2 P04626 2/20 0.55
▸ PDGFRB P09619 3/20 0.51
▸ PDGFRA P16234 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ PRKCA P17252 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ PRKCG P05129 1/20 0.51

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
SCHEMBL3442508 0.93 MAPK8 (0.66) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL14267260 0.92 MAPK8 (0.67) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3442093 0.92 MAPK8 (0.65) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3442090 0.89 MAPK8 (0.62) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3441778 0.89 MAPK8 (0.65) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3442630 0.88 MAPK8 (0.68) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL5227243 0.88 SLC2A1 (0.64) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL13105468 0.87 SLC2A1 (0.65) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3441707 0.87 SLC2A1 (0.64) SLC2A1MAPK8MAPK9MAPK10AURKA
SCHEMBL3442634 0.86 SLC2A1 (0.82) SLC2A1MAPK8MAPK9MAPK10AURKA

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 SLC2A1 3810/4885MAPK8 263/4885MAPK9 203/4885

“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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