SCHEMBL5380676

SCHEMBL5380676

Cc1ccccc1Nc1n[nH]c(SCc2ccncc2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.64
ADRA2C P18825 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKX P51817 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
MAP4K5 Q9Y4K4 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
SCHEMBL5385739 0.91 METAP2 (0.62) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5387236 0.84 METAP2 (0.62) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5376748 0.83 METAP2 (0.55) METAP2ADRA2CPLA2G7ROCK2MAP4K4
SCHEMBL5371827 0.83 METAP2 (0.48) METAP2NPSR1MAPTHTT
SCHEMBL5385617 0.82 METAP2 (0.49) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5371785 0.82 METAP2 (0.46) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5396887 0.82 KCNH3 (0.54) METAP2NPC1RAB9ASMN1; SMN2PLA2G7
SCHEMBL5376834 0.81 METAP2 (0.67) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5376845 0.81 METAP2 (0.48) METAP2NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5373581 0.80 METAP2 (0.62) METAP2NPC1RAB9ASMN1; SMN2MAPT

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 5 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

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 1/4885ADRA2C 3152/4885NPSR1 2820/4885

“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.