SCHEMBL3442090

SCHEMBL3442090

O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.62
▸ MAPK9 P45984 2/20 0.62
▸ SLC2A1 P11166 4/20 0.61
▸ MAPK10 P53779 1/20 0.60
▸ KDR P35968 3/20 0.56
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ CDK19 Q9BWU1 1/20 0.56
▸ EGFR P00533 3/20 0.53
▸ ERBB2 P04626 3/20 0.53
▸ PKMYT1 Q99640 1/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ PDGFRB P09619 2/20 0.49
▸ BCR P11274 2/20 0.49
▸ PDGFRA P16234 2/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PRKCA P17252 1/20 0.49

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
SCHEMBL3442294 0.93 MAPK8 (0.63) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3441885 0.89 SLC2A1 (0.65) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3442093 0.89 MAPK8 (0.65) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL14267260 0.89 MAPK8 (0.67) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3542608 0.87 EGFR (0.60) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3441778 0.86 MAPK8 (0.65) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3442508 0.85 MAPK8 (0.66) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL5227243 0.85 SLC2A1 (0.64) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL3442630 0.85 MAPK8 (0.68) MAPK8MAPK9SLC2A1MAPK10KDR
SCHEMBL13105468 0.85 SLC2A1 (0.65) MAPK8MAPK9SLC2A1MAPK10KDR

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 3 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
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

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 203/4885SLC2A1 3810/4885

“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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