SCHEMBL21542013

SCHEMBL21542013

CN(C)CCNc1nc(NCc2ccccc2C(F)(F)F)c2sccc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.42
PDE4A P27815 9/20 0.41
PDE4B Q07343 9/20 0.41
PDE4C Q08493 9/20 0.41
PDE4D Q08499 9/20 0.41
PDE3B Q13370 6/20 0.41
PDE3A Q14432 6/20 0.41
PAK4 O96013 1/20 0.39
MAPK8 P45983 1/20 0.39
TYRO3 Q06418 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
KCNH2 Q12809 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL26741844 0.86 RAD52 (0.41) RAD52UTS2RADORA2AADORA1MEN1
SCHEMBL21542011 0.84 PAK4 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542072 0.83 POLB (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21541987 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399303 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542004 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399015 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542038 0.80 EPHX2 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399064 0.80 ADORA2A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542068 0.79 CYP1A2 (0.48) PDE4APDE4BPDE4CPDE4DCLK4

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 RAD52 871/4885PDE4A 4381/4885PDE4B 4061/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO RAD52 2035/4885PDE4A 2407/4885PDE4B 2583/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 RAD52 4843/4885PDE4A 1803/4885PDE4B 1397/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 RAD52 2880/4885PDE4A 2160/4885PDE4B 1985/4885

“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.