SCHEMBL5377220

SCHEMBL5377220

Cc1ccccc1CSc1nc(Nc2ccccc2C(C)C)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5387236 0.88 METAP2 (0.62) METAP2SMN1; SMN2GAAALDH1A1NPSR1
SCHEMBL5376665 0.88 METAP2 (0.47) METAP2SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL5371746 0.88 KMT2A (0.42) METAP2SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL5392093 0.86 METAP2 (0.49) METAP2SMN1; SMN2GAAALDH1A1HPGD
SCHEMBL5382055 0.85 METAP2 (0.49) METAP2HPGDPIK3CAPIK3CBPIK3CG
SCHEMBL5393592 0.85 METAP2 (0.52) METAP2SMN1; SMN2GAAALDH1A1NPSR1
SCHEMBL5376577 0.83 METAP2 (0.47) METAP2ALDH1A1NPSR1PIK3CAPIK3CB
SCHEMBL5371990 0.82 KDM4E (0.45) METAP2ALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL5382952 0.82 METAP2 (0.49) METAP2SMN1; SMN2GAAALDH1A1NPSR1
SCHEMBL5373695 0.82 METAP2 (0.54) METAP2SMN1; SMN2GAAALDH1A1KMT2A

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 1/4885SMN1; SMN2 4773/4885GAA 2089/4885

“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.