SCHEMBL5372437

SCHEMBL5372437

COc1ccc(Nc2n[nH]c(SCc3ccc(F)c(F)c3)n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.52
GAA P10253 3/20 0.44
FLT3 P36888 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
PTK2 Q05397 1/20 0.39
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5393573 0.90 METAP2 (0.52) METAP2P2RX7ADORA2A
SCHEMBL5376560 0.90 TP53 (0.47) METAP2GAAFLT3MKNK2MAPT
SCHEMBL5385922 0.90 GAA (0.49) GAAFLT3MKNK2MAPTMEN1
SCHEMBL5372409 0.88 METAP2 (0.50) METAP2MAPTKMT2AP2RX7MAPK1
SCHEMBL5376731 0.85 CYP2E1 (0.50) METAP2GAAFLT3MKNK2MAPT
SCHEMBL5376838 0.85 METAP2 (0.67) METAP2MAPTLMNAL3MBTL1HTT
SCHEMBL5380596 0.84 METAP2 (0.51) METAP2GAAFLT3MKNK2MAPT
SCHEMBL5397353 0.83 KMT2A (0.49) GAAMEN1KMT2ATSHR
SCHEMBL5391914 0.82 METAP2 (0.68) METAP2GAAFLT3MAPK1
SCHEMBL5382003 0.81 METAP2 (0.52) METAP2GAAFLT3MKNK2MAPT

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 1/4885GAA 2089/4885FLT3 366/4885

“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.