SCHEMBL20550647

SCHEMBL20550647

COc1ccc(-n2nccn2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 6/20 0.42
CCR1 P32246 1/20 0.41

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
SCHEMBL30760731 1.00 SCN2A (0.54) SCN2AALDH1A1MEN1KMT2AMAPT
SCHEMBL30760725 0.86 ALDH1A1 (0.47) SCN2AALDH1A1MEN1KMT2AMAPT
SCHEMBL10263764 0.80 HTR3E (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HCRTR1
SCHEMBL30760737 0.79 HCRTR1 (0.40) SCN2ASMN1; SMN2NOS3NOS1NOS2
SCHEMBL20551297 0.79 HCRTR1 (0.40) SCN2ASMN1; SMN2NOS3NOS1NOS2
SCHEMBL14951104 0.76 HCRTR1 (0.43) ALDH1A1MAPTKDM4EHCRTR1HCRTR2
SCHEMBL24656659 0.76 CA1 (0.42) SCN2AALDH1A1GAAHCRTR1HCRTR2
SCHEMBL26829602 0.76 CYP2D6 (0.41) MEN1KMT2ABLMHCRTR1HCRTR2
SCHEMBL28339831 0.75 HCRTR1 (0.39) ALDH1A1MAPTCYP3A4NOS3NOS1
SCHEMBL16767619 0.75 ERN1 (0.51) ALDH1A1MAPTKDM4EHCRTR1HCRTR2

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-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
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 SCN2A 418/4885ALDH1A1 816/4885MEN1 1038/4885
US-20210114997-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES KCNK5, KCNJ2, KCNK2 SCN2A 418/4885ALDH1A1 816/4885MEN1 1038/4885

“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.