SCHEMBL21753283

SCHEMBL21753283

Cc1cc(-c2ccncc2C)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
GRM4 Q14833 1/20 0.39
ABL1 P00519 4/20 0.39
HAVCR2 Q8TDQ0 1/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 1/20 0.37
CYP19A1 P11511 1/20 0.35
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
LRRK2 Q5S007 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL21753314 0.84 CYP11B1 (0.46) MMP13CCNCCDK8GRM4ABL1
SCHEMBL21753292 0.80 QDPR (0.41) CYP11B1CYP11B2CYP19A1MAPK14
SCHEMBL13798704 0.79 CCNC (0.46) MMP13CCNCCDK8GRM4ABL1
SCHEMBL21770153 0.77 MKNK1 (0.52) CDK8ABL1CYP11B1CYP11B2CYP19A1
SCHEMBL9602289 0.77
SCHEMBL21202128 0.76 GRM4 (0.51) MMP13CCNCCDK8GRM4ABL1
Hydrochloric Acid SCHEMBL20475309 0.75 AOC1 (0.41)
SCHEMBL15266170 0.75 BTK (0.40) MMP13CCNCCDK8ABL1HAVCR2
SCHEMBL21770160 0.73 MKNK1 (0.44) ABL1CYP11B2
SCHEMBL21803709 0.72 GCGR (0.52) CCNCCDK8GRM4CYP19A1MAPK13

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-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
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
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO 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 (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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP MMP13 261/4885CCNC 2351/4885CDK8 2570/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP MMP13 313/4885CCNC 2520/4885CDK8 2484/4885

“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.