SCHEMBL5376830

SCHEMBL5376830

COc1ccc(Nc2n[nH]c(SCc3ccncc3)n2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.67
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK1 O14757 1/20 0.43
ENPP1 P22413 2/20 0.42
GAA P10253 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 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
SCHEMBL5373556 0.90 METAP2 (0.66) METAP2POLBGAA
SCHEMBL5376484 0.85 METAP2 (0.65) METAP2MEN1RAB9AKMT2A
SCHEMBL5391914 0.84 METAP2 (0.68) METAP2GAA
SCHEMBL5380664 0.84 METAP2 (0.53) METAP2POLBRAB9A
SCHEMBL5376528 0.83 METAP2 (0.70) METAP2MEN1POLBRAB9AKMT2A
SCHEMBL5372069 0.82 METAP2 (0.56) METAP2GAA
SCHEMBL5377316 0.82 METAP2 (0.46) METAP2MEN1KMT2ACHEK1
SCHEMBL5373581 0.81 METAP2 (0.62) METAP2MEN1RAB9AKMT2A
SCHEMBL5387674 0.81 METAP2 (0.68) METAP2
SCHEMBL5376821 0.80 METAP2 (0.68) METAP2RAB9AKMT2A

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 1/4885MEN1 1981/4885POLB 1040/4885

“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.