SCHEMBL21542068

SCHEMBL21542068

FC(F)(F)c1ccccc1CNc1nc(NCCN2CCOCC2)nc2ccsc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP3A4 P08684 4/20 0.48
USP2 O75604 2/20 0.48
CYP2C19 P33261 3/20 0.45
HIF1A Q16665 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
STAT6 P42226 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CSNK2A1 P68400 1/20 0.40
ITGB2 P05107 1/20 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
SCHEMBL26746175 0.93 CYP1A2 (0.43) CYP1A2CYP2D6CYP3A4USP2CYP2C19
SCHEMBL21542072 0.92 POLB (0.45) CYP1A2CYP2D6CYP3A4USP2CYP2C19
SCHEMBL21542004 0.92 PDE4A (0.47) CYP1A2CYP2D6CYP3A4USP2ALDH1A1
SCHEMBL26741852 0.88 CYP1A2 (0.45) CYP1A2CYP2D6CYP3A4USP2CYP2C19
SCHEMBL26746206 0.85 PDE4A (0.46) CLK4ALDH1A1CSNK2A1PDE4APDE4B
SCHEMBL26746263 0.82 PDE4A (0.38) TSHRCLK4HTR1AHTR2CPDE4A
SCHEMBL20399084 0.82 PDE4A (0.55) CYP2C9STAT6ALDH1A1PDE4APDE4B
SCHEMBL21542011 0.80 PAK4 (0.46) CLK4PDE4APDE4BPDE4CPDE4D
SCHEMBL21542013 0.79 RAD52 (0.42) CLK4MEN1KMT2APDE4APDE4B
SCHEMBL26741869 0.79 POLB (0.43) CYP1A2CYP2D6CYP3A4USP2CYP2C19

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 CYP1A2 2038/4885CYP2D6 91/4885CYP3A4 2306/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CYP1A2 1763/4885CYP2D6 218/4885CYP3A4 2545/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CYP1A2 39/4885CYP2D6 19/4885CYP3A4 153/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CYP1A2 1686/4885CYP2D6 216/4885CYP3A4 2229/4885

“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.