SCHEMBL21542010

SCHEMBL21542010

CC(C)Nc1nc(NCc2cccnc2C(F)(F)F)c2sccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR1 P16066 4/20 0.43
ADORA2A P29274 5/20 0.42
ADORA2B P29275 4/20 0.42
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
LRRK2 Q5S007 2/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PAK4 O96013 1/20 0.39
MAPK8 P45983 1/20 0.39
TYRO3 Q06418 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL20399303 0.85 PDE4A (0.45) NPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL20400138 0.83 BCHE (0.45) NPR1PDE1APDE1BPDE1CAPP
SCHEMBL21542064 0.82 BCHE (0.61) NPR1APPBCHEACHE
SCHEMBL30092920 0.82 BCHE (0.61) NPR1APPBCHEACHE
SCHEMBL30092860 0.81 PDE4A (0.47) NPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL20417723 0.81 PDE4A (0.47) NPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL21541981 0.80 PDE4A (0.49) NPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL21542060 0.79 CCR4 (0.48) NPR1PDE1APDE1BPDE1CAPP
SCHEMBL30092845 0.79 PDE4A (0.47) NPR1PDE4APDE4BPDE4CPDE4D
SCHEMBL21567220 0.79 PDE4A (0.47) NPR1PDE4APDE4BPDE4CPDE4D

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 NPR1 1533/4885ADORA2A 2080/4885ADORA2B 1672/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO NPR1 4057/4885ADORA2A 1988/4885ADORA2B 1753/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 NPR1 3240/4885ADORA2A 4514/4885ADORA2B 3189/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 NPR1 4091/4885ADORA2A 2030/4885ADORA2B 1447/4885

“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.