SCHEMBL20550656

SCHEMBL20550656

Cc1ccc(C(=O)O)c(-n2nccn2)c1.[KH]

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.44
HCRTR2 O43614 18/20 0.44
HCRTR1 O43613 17/20 0.44
CYP3A4 P08684 9/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14843975 0.98 CSNK2A1 (0.46) CSNK2A1HCRTR2HCRTR1CYP3A4KDM4E
SCHEMBL20551182 0.87 HCRTR1 (0.50) CSNK2A1HCRTR2HCRTR1KDM4E
SCHEMBL29588462 0.85 HCRTR1 (0.51) CSNK2A1HCRTR2HCRTR1KDM4E
SCHEMBL16846509 0.85 HCRTR1 (0.44) HCRTR2HCRTR1CYP3A4
SCHEMBL934700 0.85 HCRTR1 (0.51) CSNK2A1HCRTR2HCRTR1KDM4E
SCHEMBL20550637 0.83 HCRTR1 (0.50) CSNK2A1HCRTR2HCRTR1KDM4E
Potassium Ion SCHEMBL20551716 0.82 HCRTR2 (0.42) HCRTR2HCRTR1CYP3A4
SCHEMBL17069777 0.81 HCRTR1 (0.42) HCRTR2HCRTR1CYP3A4
SCHEMBL16040983 0.81 CYP46A1 (0.49) HCRTR2HCRTR1CYP3A4
SCHEMBL18197650 0.81 HCRTR1 (0.44) HCRTR2HCRTR1CYP3A4

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
US-11124488-B2 Preparation of 2-([1,2,3]triazol-2-yl)-benzoic acid derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-09-21 US disclosed
EP-3619199-B1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210114997-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3619199-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-11 EP disclosed
CN-110612291-A Preparation of 2- ([1,2,3] triazol-2-yl) -benzoic acid derivatives 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018202689-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-08 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-11124488-B2 Preparation of 2-([1,2,3]triazol-2-yl)-benzoic acid derivatives KCNK5, KCNJ2, KCNK2 CSNK2A1 122/4885HCRTR2 3339/4885HCRTR1 4534/4885
US-20210114997-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES KCNK5, KCNJ2, KCNK2 CSNK2A1 122/4885HCRTR2 3339/4885HCRTR1 4534/4885

“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.