SCHEMBL21542039

SCHEMBL21542039

CC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2sccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADORA2B P29275 5/20 0.53
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
NPR1 P16066 2/20 0.43
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BCDIN3D Q7Z5W3 2/20 0.41
LRRK2 Q5S007 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL21542001 0.85 PDE4A (0.49) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL21567304 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092963 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092858 0.81 ACHE (0.67) CDK2CDK9APPBCHEACHE
SCHEMBL21542056 0.81 ACHE (0.67) CDK2CDK9APPBCHEACHE
SCHEMBL21542054 0.80 CA1 (0.51) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL21542062 0.80 CDK2 (0.51) ADORA2AADORA2BCDK2CDK9NPR1
SCHEMBL21567306 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092880 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399148 0.79 PDE4A (0.67) 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 ADORA2A 2080/4885ADORA2B 1672/4885CDK2 1213/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO ADORA2A 1988/4885ADORA2B 1753/4885CDK2 114/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 ADORA2A 4514/4885ADORA2B 3189/4885CDK2 1913/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 ADORA2A 2030/4885ADORA2B 1447/4885CDK2 118/4885

“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.