SCHEMBL21541981

SCHEMBL21541981

CC(C)Nc1nc(NCc2ccccc2OC(F)(F)F)c2sccc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.49
PDE4B Q07343 9/20 0.49
PDE4C Q08493 9/20 0.49
PDE4D Q08499 9/20 0.49
PDE3B Q13370 6/20 0.49
PDE3A Q14432 6/20 0.49
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
APP P05067 2/20 0.44
LRRK2 Q5S007 1/20 0.42
NPR1 P16066 4/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACVR1 Q04771 1/20 0.38
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38

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
SCHEMBL30092941 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567225 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399303 0.85 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092860 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20417723 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567279 0.83 ADORA2A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542023 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092845 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567220 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542010 0.80 NPR1 (0.43) 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 PDE4A 4381/4885PDE4B 4061/4885PDE4C 3796/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PDE4A 2407/4885PDE4B 2583/4885PDE4C 1948/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PDE4A 1803/4885PDE4B 1397/4885PDE4C 1358/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PDE4A 2160/4885PDE4B 1985/4885PDE4C 1894/4885

“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.