SCHEMBL5391990

SCHEMBL5391990

Cc1cc(CSc2nc(Nc3ccccc3C(C)C)n[nH]2)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.53
IGF1R P08069 1/20 0.38
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
USP1 O94782 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5376901 0.88 METAP2 (0.66) METAP2NPSR1MAPTLMNA
SCHEMBL5376475 0.84 METAP2 (0.53) METAP2MAPTALDH1A1LMNAHSD17B10
SCHEMBL5387535 0.84 METAP2 (0.69) METAP2IGF1RMAPTALDH1A1
SCHEMBL5372134 0.84 METAP2 (0.53) METAP2IGF1RMAPTALDH1A1
SCHEMBL5371852 0.83 METAP2 (0.55) METAP2MAPTMAPK1ALDH1A1LMNA
SCHEMBL5371990 0.82 KDM4E (0.45) METAP2PIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL5382055 0.80 METAP2 (0.49) METAP2IGF1RPIK3CAPIK3CBPIK3CG
SCHEMBL5377220 0.80 METAP2 (0.49) METAP2PIK3CAPIK3CBPIK3CGNPSR1
SCHEMBL5387581 0.79 METAP2 (0.48) METAP2IGF1RPIK3CAPIK3CBPIK3CG
SCHEMBL5385578 0.78 METAP2 (0.65) METAP2MAPTALDH1A1LMNA

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 1/4885IGF1R 625/4885PIK3CA 1631/4885

“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.