SCHEMBL4244974

SCHEMBL4244974

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(B(O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.71
AGTR1 P30556 2/20 0.71
AGTR2 P50052 2/20 0.71
KDM4E B2RXH2 1/20 0.71
ABCC3 O15438 1/20 0.71
ABCC4 O15439 1/20 0.71
USP2 O75604 1/20 0.71
ABCB11 O95342 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CHRM2 P08172 1/20 0.71
CYP3A4 P08684 1/20 0.71
ADRA2A P08913 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
CYP2C9 P11712 1/20 0.71
ACE P12821 1/20 0.71
ADRA2C P18825 1/20 0.71
TBXA2R P21731 1/20 0.71
GLRA1 P23415 1/20 0.71
PDE4A P27815 1/20 0.71

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
SCHEMBL13780797 0.95 AGTR1 (0.64) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL13382771 0.91 PPARG (0.75) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL9565910 0.90 PPARG (0.74) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL1249924 0.89 PPARG (0.78) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL16456669 0.89 PPARG (0.68) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL16456732 0.87 PPARG (0.70) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL8268211 0.86 PPARG (0.80) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL809909 0.85 PPARG (0.78) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL12664495 0.85 PPARG (0.77) PPARGAGTR1AGTR2KDM4EABCC3
SCHEMBL1249891 0.84 PPARG (0.76) PPARGAGTR1AGTR2KDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885714-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS (SI) 2014-01-15 EP claimed
US-20090176849-A1 Process for the preparation of 2-alkyl-1-((2'-substituted-biphenyl-4-yl) Methyl)-imidazole, dihydroimidazole or benzimidazloe derivatives LEK PHARMACEUTICALS, D.D. (SI) 2009-07-09 US claimed
EP-1885714-A2 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK Pharmaceuticals D.D. (SI) 2008-02-13 EP claimed
WO-2006125592-A2 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2006-11-30 WO claimed
EP-1885714-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS (SI) 2014-01-15 EP disclosed
US-20090176849-A1 Process for the preparation of 2-alkyl-1-((2'-substituted-biphenyl-4-yl) Methyl)-imidazole, dihydroimidazole or benzimidazloe derivatives LEK PHARMACEUTICALS, D.D. (SI) 2009-07-09 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-20090176849-A1 Process for the preparation of 2-alkyl-1-((2'-substituted-biphenyl-4-yl) Methyl)-imidazole, dihydroimidazole or benzimidazloe derivatives AGTR1, AGTR2, REN PPARG 2150/4885AGTR1 1/4885AGTR2 2/4885

“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.