SCHEMBL21542004

SCHEMBL21542004

FC(F)(F)c1ccccc1CNc1nc(NCCN2CCCC2)nc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA2A P29274 5/20 0.40
ADORA2B P29275 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
CSNK2A1 P68400 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 1/20 0.38
ACP1 P24666 1/20 0.37
KCNH2 Q12809 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
SCHEMBL21542072 0.94 POLB (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL26746206 0.93 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21542068 0.92 CYP1A2 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26746175 0.85 CYP1A2 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26746263 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL26746234 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL20399062 0.83 MKNK1 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21542011 0.82 PAK4 (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21542013 0.82 RAD52 (0.42) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL26741869 0.81 POLB (0.43) KDM4EALDH1A1POLBHTR1AHTR2C

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.