SCHEMBL5374084

SCHEMBL5374084

CC=C(C)CSc1nc(Nc2ccccc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.48
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 2/20 0.38
METAP1 P53582 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL5374077 1.00 METAP2 (0.48) METAP2GAAGFERNPC1RAB9A
SCHEMBL5372010 0.90 METAP2 (0.47) METAP2GAAGFERNPC1RAB9A
SCHEMBL5372008 0.90 METAP2 (0.47) METAP2GAAGFERNPC1RAB9A
SCHEMBL5374378 0.88 METAP2 (0.48) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5374381 0.88 METAP2 (0.48) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5377186 0.87 METAP2 (0.42) METAP2NPC1RAB9AMAPTALDH1A1
SCHEMBL5377191 0.87 METAP2 (0.42) METAP2NPC1RAB9AMAPTALDH1A1
SCHEMBL5376451 0.87 METAP2 (0.49) METAP2GAAGFERMEN1KMT2A
SCHEMBL5376452 0.87 METAP2 (0.49) METAP2GAAGFERMEN1KMT2A
SCHEMBL5380590 0.86 NFKB1 (0.43) NPC1RAB9AMEN1KMT2AMAPT

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 2 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

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 1/4885GAA 2089/4885GFER 4149/4885

“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.