SCHEMBL5374378

SCHEMBL5374378

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.48
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
POLB P06746 1/20 0.36
MPO P05164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5374381 1.00 METAP2 (0.48) METAP2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5376452 0.88 METAP2 (0.49) METAP2MEN1MAPTKMT2APOLB
SCHEMBL5376451 0.88 METAP2 (0.49) METAP2MEN1MAPTKMT2APOLB
SCHEMBL5374084 0.88 METAP2 (0.48) METAP2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5374077 0.88 METAP2 (0.48) METAP2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5372340 0.86 METAP2 (0.51) METAP2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5372337 0.86 METAP2 (0.51) METAP2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5380590 0.85 NFKB1 (0.43) RAB9ANPC1MEN1MAPTNFKB1
SCHEMBL5380587 0.85 NFKB1 (0.43) RAB9ANPC1MEN1MAPTNFKB1
SCHEMBL5387679 0.83 POLA1 (0.45) RAB9ANPC1SMN1; SMN2MEN1MAPT

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
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

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 1/4885RAB9A 2324/4885NPC1 4364/4885

“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.