SCHEMBL5373556

SCHEMBL5373556

COc1ccc(Nc2n[nH]c(SCc3ccccc3)n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.66
FLT3 P36888 2/20 0.45
LMNA P02545 2/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
PLK1 P53350 1/20 0.43
IMPDH2 P12268 1/20 0.42
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42
KIT P10721 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
GAA P10253 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5376830 0.90 METAP2 (0.67) METAP2GAAPOLB
SCHEMBL5380664 0.89 METAP2 (0.53) METAP2LMNAPOLB
SCHEMBL5372069 0.88 METAP2 (0.56) METAP2FLT3AURKAGAA
SCHEMBL5376528 0.86 METAP2 (0.70) METAP2FLT3LMNAAURKAJAK2
SCHEMBL5387674 0.86 METAP2 (0.68) METAP2LMNA
SCHEMBL5376821 0.85 METAP2 (0.68) METAP2FLT3AURKAALDH1A1HTT
SCHEMBL5391914 0.85 METAP2 (0.68) METAP2FLT3GAAMAPK1
SCHEMBL5380656 0.85 METAP2 (0.64) METAP2MAPT
SCHEMBL5377316 0.83 METAP2 (0.46) METAP2LMNA
SCHEMBL5373564 0.82 GBA1 (0.50) METAP2AURKAALDH1A1POLBMAPT

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 8 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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885FLT3 366/4885LMNA 4783/4885

“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.