SCHEMBL3442630

SCHEMBL3442630

Cc1cccc(C(=O)Nc2cccc(-c3nn4ccccc4c3-c3ccnc(Nc4ccccc4)n3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.68
▸ MAPK9 P45984 2/20 0.68
▸ MAPK10 P53779 1/20 0.68
▸ SLC2A1 P11166 4/20 0.64
▸ KDR P35968 2/20 0.57
▸ AURKA O14965 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ CDK19 Q9BWU1 1/20 0.57
▸ EGFR P00533 2/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ PKMYT1 Q99640 1/20 0.52
▸ GSK3B P49841 4/20 0.51
▸ ABL1 P00519 4/20 0.51
▸ PDGFRB P09619 4/20 0.51
▸ BCR P11274 4/20 0.51
▸ PDGFRA P16234 4/20 0.51
▸ PRKCA P17252 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ PRKD3 O94806 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
SCHEMBL3442220 0.93 SLC2A1 (0.62) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL14267260 0.93 MAPK8 (0.67) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3442508 0.90 MAPK8 (0.66) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3441778 0.89 MAPK8 (0.65) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3441885 0.88 SLC2A1 (0.65) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3442093 0.88 MAPK8 (0.65) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL13848104 0.88 SLC2A1 (0.58) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3442294 0.88 MAPK8 (0.63) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL5227243 0.87 SLC2A1 (0.64) MAPK8MAPK9MAPK10SLC2A1KDR
SCHEMBL3443704 0.87 SLC2A1 (0.66) MAPK8MAPK9MAPK10SLC2A1KDR

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 MAPK8 263/4885MAPK9 203/4885MAPK10 548/4885

“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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