SCHEMBL5376451

SCHEMBL5376451

C/C=C(\C)CSc1nc(Nc2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
POLB P06746 2/20 0.41
PKM P14618 1/20 0.39
KDR P35968 2/20 0.38
BRAF P15056 1/20 0.38
HPGD P15428 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 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
SCHEMBL5376452 1.00 METAP2 (0.49) METAP2GAAMEN1KMT2AGFER
SCHEMBL5374378 0.88 METAP2 (0.48) METAP2MEN1KMT2APOLBHPGD
SCHEMBL5374381 0.88 METAP2 (0.48) METAP2MEN1KMT2APOLBHPGD
SCHEMBL5374084 0.87 METAP2 (0.48) METAP2GAAMEN1KMT2AGFER
SCHEMBL5374077 0.87 METAP2 (0.48) METAP2GAAMEN1KMT2AGFER
SCHEMBL5372340 0.85 METAP2 (0.51) METAP2GAAMEN1KMT2AKDR
SCHEMBL5372337 0.85 METAP2 (0.51) METAP2GAAMEN1KMT2AKDR
SCHEMBL5382062 0.82 METAP2 (0.53) METAP2MEN1KMT2AHPGDALDH1A1
SCHEMBL5387679 0.82 POLA1 (0.45) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL5382069 0.82 METAP2 (0.53) METAP2MEN1KMT2AHPGDALDH1A1

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 8 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
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 1/4885GAA 2089/4885MEN1 1981/4885

“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.