SCHEMBL5371876

SCHEMBL5371876

COc1ccc(Nc2n[nH]c(SCc3ccccn3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.68
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2E1 P05181 2/20 0.54
CYP2C8 P10632 2/20 0.54
CYP2B6 P20813 2/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL5384772 0.87 METAP2 (0.66) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5377029 0.87 METAP2 (0.54) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5376528 0.86 METAP2 (0.70) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5384836 0.85 METAP2 (0.70) METAP2MAPTALDH1A1KDM4EMEN1
SCHEMBL5380656 0.85 METAP2 (0.64) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5387666 0.85 METAP2 (0.66) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5371861 0.84 CYP1A2 (0.54) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5372428 0.84 CYP1A2 (0.54) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5372044 0.82 NPC1 (0.54) METAP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5373536 0.82 METAP2 (0.52) METAP2CYP1A2CYP3A4CYP2D6CYP2C9

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 1/4885CYP1A2 1491/4885CYP3A4 1076/4885

“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.