SCHEMBL21770459

SCHEMBL21770459

Cn1ncc2cc(CCl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
TCF7 P36402 1/20 0.54
MPO P05164 1/20 0.47
TRPM5 Q9NZQ8 1/20 0.47
MAOB P27338 2/20 0.46
CACNA1H O95180 8/20 0.45
CCNC P24863 1/20 0.43
HTR2A P28223 1/20 0.43
CDK8 P49336 1/20 0.43
PASK Q96RG2 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
DRD4 P21917 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
TRPA1 O75762 1/20 0.42
SLC5A2 P31639 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
CACNA1G O43497 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40

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
SCHEMBL8179108 0.84 CTNNB1 (0.55) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL29728749 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL29491495 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL904751 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL15333416 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOTRPM5MAOB
SCHEMBL1665815 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL8220146 0.81 CTNNB1 (0.59) CTNNB1TCF7MPOTRPM5CACNA1H
Bromide SCHEMBL16597408 0.81 CTNNB1 (0.52) CTNNB1TCF7MPOTRPM5MAOB
SCHEMBL13547918 0.79 CTNNB1 (0.51) CTNNB1TCF7MPOTRPM5CACNA1H
SCHEMBL31638220 0.79 CTNNB1 (0.58) CTNNB1TCF7MPOTRPM5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
EP-3668881-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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 (3 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-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF PDK1, PDK2, PDK4 CTNNB1 2632/4885TCF7 3039/4885MPO 3603/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP CTNNB1 3935/4885TCF7 4215/4885MPO 408/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP CTNNB1 3587/4885TCF7 3943/4885MPO 386/4885

“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.