SCHEMBL6004652

SCHEMBL6004652

CCC(C)c1nc(C2CCC(CCN)CC2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.33
AGTR2 P50052 5/20 0.33
PPARG P37231 1/20 0.32
CDC7 O00311 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
PRKCG P05129 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
MAPK1 P28482 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL6004438 0.94 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL6005607 0.93 AGTR1 (0.33) AGTR1AGTR2PPARGCDC7AURKA
SCHEMBL6007177 0.90 AGTR1 (0.34) AGTR1AGTR2PPARGCDC7CDK2
SCHEMBL6005689 0.89 AGTR1 (0.37) AGTR1AGTR2PPARGCDC7
SCHEMBL6004645 0.89 AGTR1 (0.33) AGTR1AGTR2PPARGCDC7
SCHEMBL6006855 0.88 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL6007816 0.87 AGTR1 (0.36) AGTR1AGTR2AURKACHUKMAPK13
SCHEMBL6007898 0.87 AGTR1 (0.34) AGTR1AGTR2CDC7AURKACHUK
SCHEMBL6861143 0.86 AGTR1 (0.34) AGTR1AGTR2PPARGAURKACHUK
SCHEMBL6004628 0.86 AGTR1 (0.38) AGTR1AGTR2PPARG

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
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
US-20040121989-A1 such as 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. 2004-06-24 US disclosed
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 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 (2 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 AGTR1 2/4885AGTR2 3/4885PPARG 118/4885
US-20040121989-A1 such as 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 AGTR1 2/4885AGTR2 3/4885PPARG 144/4885

“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.