SCHEMBL5376748

SCHEMBL5376748

c1ccc(-c2ccccc2Nc2n[nH]c(SCc3ccncc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.55
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKX P51817 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
ADRA2C P18825 1/20 0.41
PLA2G7 Q13093 1/20 0.39
MAPK14 Q16539 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDR P35968 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL5373542 0.93 METAP2 (0.62) METAP2ALDH1A1DAO
SCHEMBL5380676 0.83 METAP2 (0.64) METAP2ROCK2MAP4K4PRKXAURKB
SCHEMBL5396887 0.83 KCNH3 (0.54) METAP2ROCK2MAP4K4PRKXAURKB
SCHEMBL5385018 0.82 METAP2 (0.48) METAP2ALDH1A1DAO
SCHEMBL5382956 0.82 METAP2 (0.47) METAP2CLK4ALDH1A1
SCHEMBL5376396 0.81 METAP2 (0.66) METAP2ALDH1A1
SCHEMBL5382952 0.81 METAP2 (0.49) METAP2ALDH1A1
SCHEMBL5377031 0.80 NPC1 (0.48) METAP2ALDH1A1DAO
SCHEMBL5381797 0.78 METAP2 (0.49) METAP2ALDH1A1
SCHEMBL5381733 0.77 METAP2 (0.51) METAP2ALDH1A1

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-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885ROCK2 373/4885MAP4K4 2694/4885

“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.