SCHEMBL5495872

SCHEMBL5495872

Cc1cccc(NC(=O)C=NO)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP1A2 P05177 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ACHE P22303 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DDX3X O00571 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL29751189 1.00 HPGD (0.52) HPGDMAPK1CYP1A2NPSR1TP53
SCHEMBL5497996 1.00 HPGD (0.52) HPGDMAPK1CYP1A2NPSR1TP53
SCHEMBL13909387 0.84 HPGD (0.55) HPGDMAPK1CYP1A2NPSR1TP53
SCHEMBL4189803 0.84 HPGD (0.55) HPGDMAPK1CYP1A2NPSR1TP53
SCHEMBL2898601 0.84 HPGD (0.55) HPGDMAPK1CYP1A2NPSR1TP53
SCHEMBL30634941 0.83 HPGD (0.62) HPGDMAPK1CYP1A2NPSR1MMP1
SCHEMBL5001755 0.83 HPGD (0.62) HPGDMAPK1CYP1A2NPSR1MMP1
SCHEMBL29451127 0.83 HPGD (0.62) HPGDMAPK1CYP1A2NPSR1MMP1
SCHEMBL11448045 0.83 HPGD (0.62) HPGDMAPK1CYP1A2NPSR1MMP1
SCHEMBL5001754 0.83 HPGD (0.62) HPGDMAPK1CYP1A2NPSR1MMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HPGD 909/4885MAPK1 44/4885CYP1A2 312/4885

“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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