SCHEMBL5385018

SCHEMBL5385018

Fc1ccc(CSc2nc(Nc3ccccc3-c3ccccc3)n[nH]2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.48
HTT P42858 1/20 0.36
IGF1R P08069 1/20 0.36
NTRK1 P04629 1/20 0.36
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5373542 0.86 METAP2 (0.62) METAP2HTTIGF1RDAOALDH1A1
SCHEMBL5376834 0.85 METAP2 (0.67) METAP2NTRK1
SCHEMBL5384605 0.84 METAP2 (0.53) METAP2IGF1RNTRK1
SCHEMBL5376396 0.84 METAP2 (0.66) METAP2ALDH1A1
SCHEMBL5381456 0.83 METAP2 (0.51) METAP2
SCHEMBL5376748 0.82 METAP2 (0.55) METAP2DAOALDH1A1
SCHEMBL5381440 0.82 METAP2 (0.50) METAP2IGF1RNTRK1DAO
SCHEMBL5372409 0.82 METAP2 (0.50) METAP2HTTALDH1A1
SCHEMBL5377031 0.81 NPC1 (0.48) METAP2DAOALDH1A1
SCHEMBL5376422 0.77 METAP2 (0.53) METAP2NTRK1DAOALDH1A1

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
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 1/4885HTT 2383/4885IGF1R 625/4885

“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.