SCHEMBL6004797

SCHEMBL6004797

CC(C)c1nc(C2CCC(CN)CC2)n(Cc2ccc(-c3ccccc3)c(-c3nnn[nH]3)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.32
AKT1 P31749 4/20 0.32
AKT2 P31751 4/20 0.32
CDC7 O00311 2/20 0.31
ROCK2 O75116 2/20 0.31
PIM1 P11309 2/20 0.31
PRKACA P17612 2/20 0.31
CDK2 P24941 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MAP4K4 O95819 1/20 0.31
GSK3B P49841 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
AURKA O14965 1/20 0.30
CHUK O15111 1/20 0.30
MAPK13 O15264 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL6861143 0.91 AGTR1 (0.34) AKT1AKT2ROCK2PIM1PRKACA
SCHEMBL6005607 0.85 AGTR1 (0.33) AKT1AKT2CDC7ROCK2PIM1
SCHEMBL6004438 0.84 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL6005821 0.82 AGTR1 (0.35) AKT1AKT2ROCK2PIM1PRKACA
SCHEMBL6859762 0.82 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL6005602 0.81 AGTR1 (0.34) AKT1AKT2ROCK2PIM1PRKACA
SCHEMBL6006038 0.80 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6007751 0.80 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6006852 0.80 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6004923 0.79 AGTR1 (0.36) AGTR1AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 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-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 IGF1R 331/4885AKT1 4181/4885AKT2 3997/4885

“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.