SCHEMBL5381607

SCHEMBL5381607

CC=C(C)CSc1nc(Nc2ccccc2-c2ccccc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.54
ALDH1A1 P00352 3/20 0.45
IGF1R P08069 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 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
SCHEMBL5381603 1.00 METAP2 (0.54) METAP2ALDH1A1IGF1RMEN1KMT2A
SCHEMBL5372004 0.84 METAP2 (0.51) METAP2MEN1KMT2AMAPTHTT
SCHEMBL5372002 0.84 METAP2 (0.51) METAP2MEN1KMT2AMAPTHTT
SCHEMBL5374077 0.83 METAP2 (0.48) METAP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5374084 0.83 METAP2 (0.48) METAP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5371957 0.82 TSHR (0.46) METAP2MEN1KMT2AHTTTHRB
SCHEMBL5371953 0.82 TSHR (0.46) METAP2MEN1KMT2AHTTTHRB
SCHEMBL5376650 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5381004 0.81 METAP2 (0.43) METAP2IGF1RLMNACCNA2CDK2
SCHEMBL5381007 0.81 METAP2 (0.43) METAP2IGF1RLMNACCNA2CDK2

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 1/4885ALDH1A1 1754/4885IGF1R 625/4885

“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.