SCHEMBL21542054

SCHEMBL21542054

CC(C)Nc1nc(NCc2ccc(S(C)(=O)=O)cc2)c2sccc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PDE4A P27815 11/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
PDE3B Q13370 7/20 0.48
PDE3A Q14432 7/20 0.48
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
LRRK2 Q5S007 1/20 0.47
ADORA2B P29275 1/20 0.46
NPR1 P16066 1/20 0.45
USP1 O94782 1/20 0.45
WDR48 Q8TAF3 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.43
PTGS2 P35354 2/20 0.43

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
SCHEMBL30092963 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567304 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092880 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567306 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399148 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20406810 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542001 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567244 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092937 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542022 0.81 LRRK2 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B

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 CA1 4598/4885CA2 3165/4885CA9 4339/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CA1 4882/4885CA2 4574/4885CA9 4876/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CA1 1478/4885CA2 519/4885CA9 966/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CA1 4874/4885CA2 4040/4885CA9 4846/4885

“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.