SCHEMBL21542022

SCHEMBL21542022

CC(C)Nc1nc(NCc2ccccc2S(C)(=O)=O)c2sccc2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
NPR1 P16066 5/20 0.45
PDE4A P27815 9/20 0.44
PDE4B Q07343 9/20 0.44
PDE4C Q08493 9/20 0.44
PDE4D Q08499 9/20 0.44
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ACVR1 Q04771 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39

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
SCHEMBL30092860 0.83 PDE4A (0.47) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL21149601 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567220 0.83 PDE4A (0.47) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL20417723 0.83 PDE4A (0.47) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL30092845 0.83 PDE4A (0.47) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL30092953 0.83 ACHE (0.65) NPR1APPBCHEACHE
SCHEMBL20399736 0.83 ACHE (0.65) NPR1APPBCHEACHE
SCHEMBL21542054 0.81 CA1 (0.51) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL30092941 0.81 PDE4A (0.63) LRRK2NPR1PDE4APDE4BPDE4C
SCHEMBL21567225 0.81 PDE4A (0.63) LRRK2NPR1PDE4APDE4BPDE4C

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-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2026-02-10 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US 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 (4 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-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds CBR1, CBR3, COX6C LRRK2 1358/4885NPR1 1533/4885PDE4A 4381/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO LRRK2 847/4885NPR1 4057/4885PDE4A 2407/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 LRRK2 1946/4885NPR1 3240/4885PDE4A 1803/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 LRRK2 605/4885NPR1 4091/4885PDE4A 2160/4885

“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.