SCHEMBL5380596

SCHEMBL5380596

COc1ccc(Nc2n[nH]c(SCc3ccccc3F)n2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.51
ALPL P05186 1/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTK2 Q05397 3/20 0.43
LMNA P02545 1/20 0.42
FLT3 P36888 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
BRD4 O60885 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
SCHEMBL5382003 0.91 METAP2 (0.52) METAP2MAPTGAANPC1RAB9A
SCHEMBL5379162 0.90 METAP2 (0.51) METAP2ALPLMAPTGAANPC1
SCHEMBL5380385 0.89 MAPT (0.49) METAP2MAPTGAANPC1RAB9A
SCHEMBL5393520 0.89 ALPL (0.53) METAP2ALPLMAPTNPC1RAB9A
SCHEMBL5396911 0.88 GAA (0.49) METAP2MAPTGAANPC1RAB9A
SCHEMBL5376731 0.85 CYP2E1 (0.50) METAP2MAPTGAANPC1RAB9A
SCHEMBL5377174 0.84 METAP2 (0.67) METAP2ALPLMAPTGAANPC1
SCHEMBL5372437 0.84 METAP2 (0.52) METAP2MAPTGAASMN1; SMN2PTK2
SCHEMBL5376560 0.84 TP53 (0.47) METAP2MAPTGAASMN1; SMN2PTK2
SCHEMBL5385922 0.83 GAA (0.49) MAPTGAANPC1RAB9ASMN1; SMN2

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 1/4885ALPL 3713/4885MAPT 2319/4885

“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.