SCHEMBL5377191

SCHEMBL5377191

CC=C(C)CSc1nc(Nc2cccnc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.42
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.36
EIF2AK2 P19525 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 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
SCHEMBL5377186 1.00 METAP2 (0.42) METAP2MAPTHPGDRAB9AKDM4E
SCHEMBL5374084 0.87 METAP2 (0.48) METAP2MAPTHPGDRAB9ANPC1
SCHEMBL5374077 0.87 METAP2 (0.48) METAP2MAPTHPGDRAB9ANPC1
SCHEMBL5380587 0.82 NFKB1 (0.43) MAPTRAB9ANPC1CDK1CCNB1
SCHEMBL5380590 0.82 NFKB1 (0.43) MAPTRAB9ANPC1CDK1CCNB1
SCHEMBL5374381 0.81 METAP2 (0.48) METAP2MAPTHPGDRAB9AKDM4E
SCHEMBL5374378 0.81 METAP2 (0.48) METAP2MAPTHPGDRAB9AKDM4E
SCHEMBL5376451 0.80 METAP2 (0.49) METAP2MAPTHPGDALDH1A1
SCHEMBL5376452 0.80 METAP2 (0.49) METAP2MAPTHPGDALDH1A1
SCHEMBL5372008 0.78 METAP2 (0.47) METAP2MAPTRAB9ANPC1

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 1/4885MAPT 2319/4885HPGD 2062/4885

“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.