SCHEMBL21542011

SCHEMBL21542011

FC(F)(F)CNc1nc(NCc2ccccc2C(F)(F)F)c2sccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.46
TYRO3 Q06418 2/20 0.46
LRRK2 Q5S007 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MAPK8 P45983 1/20 0.46
PDE4A P27815 14/20 0.42
PDE4B Q07343 14/20 0.42
PDE4C Q08493 14/20 0.42
PDE4D Q08499 14/20 0.42
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
EGFR P00533 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 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
SCHEMBL21541987 0.86 PDE4A (0.43) PAK4TYRO3LRRK2CLK4MAPK8
SCHEMBL20399303 0.85 PDE4A (0.45) PAK4TYRO3LRRK2CLK4MAPK8
SCHEMBL21542013 0.84 RAD52 (0.42) PAK4TYRO3LRRK2CLK4MAPK8
SCHEMBL21542038 0.84 EPHX2 (0.46) PAK4TYRO3LRRK2CLK4PDE4A
SCHEMBL20399064 0.84 ADORA2A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399129 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399015 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542004 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542072 0.82 POLB (0.45) PAK4TYRO3LRRK2CLK4MAPK8
SCHEMBL21567316 0.80 PDE4A (0.44) 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 PAK4 4792/4885TYRO3 999/4885LRRK2 1358/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PAK4 1424/4885TYRO3 1972/4885LRRK2 847/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PAK4 3499/4885TYRO3 2805/4885LRRK2 1946/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PAK4 1585/4885TYRO3 1572/4885LRRK2 605/4885

“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.