Sugi Predict

Sugi Predict / Compounds / SCHEMBL5376648

SCHEMBL5376648

SCHEMBL5376648

c1cncc(Nc2n[nH]c(SCc3cccs3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 12/20 0.49
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNH3 Q9ULD8 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 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
SCHEMBL5373504 0.88 METAP2 (0.62) METAP2ALDH1A1MAPTKDM4ENPC1
SCHEMBL5373583 0.83 METAP2 (0.51) METAP2ALDH1A1MAPTKDM4ENPC1
SCHEMBL5381705 0.83 METAP2 (0.65) METAP2ALDH1A1MAPTKCNH3MAPK1
SCHEMBL5377242 0.82 METAP2 (0.65) METAP2ALDH1A1MAPTNPC1GAA
SCHEMBL5379154 0.82 METAP2 (0.50) METAP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL6252237 0.81 MAPT (0.47) METAP2ALDH1A1MAPTKDM4ENPC1
SCHEMBL5374321 0.81 METAP2 (0.65) METAP2GAASMN1; SMN2KMT2A
SCHEMBL5376986 0.80 METAP2 (0.50) METAP2ALDH1A1MAPTKDM4ENPC1
SCHEMBL6249119 0.79 MEN1 (0.52) METAP2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL5376630 0.79 METAP2 (0.69) METAP2ALDH1A1MAPTKDM4ENPC1

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 3 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
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

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 METAP2 1/4885ALDH1A1 1754/4885MAPT 2319/4885
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 METAP2 3/4885ALDH1A1 3338/4885MAPT 3195/4885

“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.