SCHEMBL21542038

SCHEMBL21542038

FC(F)(F)c1ccccc1CNc1nc(NC2CC2)nc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
IRAK4 Q9NWZ3 3/20 0.42
TYRO3 Q06418 2/20 0.41
FLT3 P36888 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRD4 O60885 1/20 0.41
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
PDE3B Q13370 2/20 0.40

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
SCHEMBL21542011 0.84 PAK4 (0.46) PDE4APDE4BPDE4CPDE4DTYRO3
SCHEMBL21541987 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTYRO3
SCHEMBL20399303 0.82 PDE4A (0.45) EPHX2APPBCHEACHECYP2C9
SCHEMBL20399064 0.81 ADORA2A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399015 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399129 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21542013 0.80 RAD52 (0.42) PDE4APDE4BPDE4CPDE4DTYRO3
SCHEMBL21542004 0.79 PDE4A (0.47) EPHX2CYP3A4PDE4APDE4BPDE4C
SCHEMBL21542072 0.79 POLB (0.45) EPHX2CYP3A4CYP2C9PDE4APDE4B
SCHEMBL21567316 0.78 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 EPHX2 638/4885APP 4837/4885BCHE 2784/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO EPHX2 928/4885APP 3897/4885BCHE 3860/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 EPHX2 77/4885APP 2829/4885BCHE 632/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 EPHX2 1073/4885APP 4242/4885BCHE 3579/4885

“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.