SCHEMBL5376887

SCHEMBL5376887

Cc1cccc(Nc2n[nH]c(SCc3ccco3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NR2F2 P24468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.45
RECQL P46063 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.40
SRC P12931 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40

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
SCHEMBL5377391 0.87 MAPT (0.45) MAPTKMT2ALMNAMAPK1ALDH1A1
SCHEMBL6249532 0.86 MAPT (0.47) MAPTKMT2ALMNAMAPK1ALDH1A1
SCHEMBL5385804 0.86 KCNH3 (0.52) MAPTKMT2ALMNAMAPK1ALDH1A1
SCHEMBL7087516 0.81 NFKB1 (0.44) SOS1MAPTKMT2ALMNAMAPK1
SCHEMBL5376637 0.81 METAP2 (0.46) MAPTKMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL5376587 0.81 MEN1 (0.41) MAPTKMT2AALDH1A1SMN1; SMN2USP2
SCHEMBL5385724 0.81 KCNH3 (0.54) MAPTKMT2ALMNAMAPK1ALDH1A1
SCHEMBL6396556 0.80 EGFR (0.53) MAPTKMT2ALMNAMAPK1ALDH1A1
SCHEMBL5377014 0.80 NFKB1 (0.40) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5379154 0.80 METAP2 (0.50) MAPTKMT2ALMNAMAPK1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US claimed
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US claimed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP claimed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US disclosed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (2 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 SOS1 3711/4885MAPT 2319/4885KMT2A 1092/4885
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole METAP1, ANPEP, METAP2 SOS1 2409/4885MAPT 3195/4885KMT2A 1106/4885

“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.