SCHEMBL5371990

SCHEMBL5371990

CC(C)c1ccccc1Nc1n[nH]c(SCc2ccccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
METAP2 P50579 9/20 0.43
CYP1A2 P05177 6/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2E1 P05181 5/20 0.43
CYP2C8 P10632 5/20 0.43
CYP2D6 P10635 5/20 0.43
CYP2B6 P20813 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP3A4 P08684 5/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5371827 0.85 METAP2 (0.48) KDM4EMETAP2CYP1A2CYP2C9CYP2E1
SCHEMBL5382055 0.85 METAP2 (0.49) METAP2PIK3CAPIK3CBPIK3CGNPC1
SCHEMBL5382902 0.83 LMNA (0.48) KDM4EMETAP2CYP1A2CYP2C9CYP2E1
SCHEMBL5391990 0.82 METAP2 (0.53) METAP2CYP1A2CYP2C19CYP3A4PIK3CA
SCHEMBL5372044 0.82 NPC1 (0.54) KDM4EMETAP2CYP1A2CYP2C9CYP2E1
SCHEMBL5377220 0.82 METAP2 (0.49) METAP2PIK3CAPIK3CBPIK3CGLMNA
SCHEMBL5376665 0.81 METAP2 (0.47) KDM4EMETAP2LMNAALDH1A1NPC1
SCHEMBL5371746 0.81 KMT2A (0.42) METAP2CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL5384825 0.81 METAP2 (0.46) METAP2PIK3CAPIK3CBPIK3CGLMNA
SCHEMBL5382797 0.80 METAP2 (0.67) KDM4EMETAP2PIK3CAPIK3CBPIK3CG

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 KDM4E 1401/4885METAP2 1/4885CYP1A2 1491/4885

“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.