SCHEMBL21177160

SCHEMBL21177160

COc1cncc(Br)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
AXL P30530 1/20 0.34
EP300 Q09472 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL21827702 0.84 ALDH1A1 (0.39) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL2953394 0.77 ALDH1A1 (0.39) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL24108644 0.76 ALDH1A1 (0.34) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL3256483 0.76 L3MBTL1 (0.35) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL1477717 0.75
SCHEMBL22660811 0.74 POLB (0.34) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL18114233 0.74 TDO2 (0.35) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL22660549 0.74 L3MBTL1 (0.34) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL3581254 0.74 ALDH1A1 (0.39) MAPTNPSR1POLBL3MBTL1CA12
SCHEMBL14206718 0.70

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
EP-4727647-A1 GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2026-04-22 EP disclosed
US-20260103465-A1 GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2026-04-16 US disclosed
WO-2024259178-A1 GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2024-12-19 WO disclosed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
CN-111615513-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-01 CN disclosed
WO-2019141803-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-25 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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 MAPT 4529/4885NPSR1 101/4885POLB 4790/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 MAPT 4529/4885NPSR1 101/4885POLB 4790/4885
US-20260103465-A1 GLYCOGEN SYNTHASE KINASE 3 INHIBITORS AND USES THEREOF GSK3A, GSK3B, GYS2 MAPT 320/4885NPSR1 1721/4885POLB 1211/4885

“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.