SCHEMBL4244121

SCHEMBL4244121

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(B(O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2C9 P11712 1/20 0.61
ADRB3 P13945 1/20 0.61
ADRA2B P18089 1/20 0.61
SLC6A2 P23975 1/20 0.61
TBXAS1 P24557 1/20 0.61
HTR2C P28335 1/20 0.61
PPARG P37231 1/20 0.61
HTR2B P41595 1/20 0.61
AGTR2 P50052 1/20 0.61
PDE3A Q14432 1/20 0.61
LTB4R2 Q9NPC1 1/20 0.61

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
SCHEMBL8265591 0.87 AGTR1 (0.64) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL22533560 0.86 AGTR1 (0.62) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL16456644 0.85 AGTR1 (0.47) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL3975959 0.85 AGTR1 (0.75) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL28927794 0.82 AGTR1 (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL29257718 0.82 PPARG (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL8563144 0.82 AGTR1 (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL31364599 0.82 PPARG (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL19380341 0.80 AGTR1 (0.71) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21083554 0.80 AGTR1 (0.68) AGTR1ABCB11EGFRERBB2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US claimed
EP-3204362-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-08-16 EP claimed
WO-2016055582-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2016-04-14 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 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
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
EP-3204362-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-08-16 EP disclosed
WO-2016055582-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2016-04-14 WO disclosed
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
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 disclosed
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 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 AGTR1 539/4885ABCB11 92/4885EGFR 4644/4885
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 AGTR1 1/4885ABCB11 4004/4885EGFR 1266/4885

“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.