SCHEMBL20399014

SCHEMBL20399014

Fc1ccc(CNc2nc(N3CCCCC3)nc3ccsc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.79
▸ PDE4B Q07343 7/20 0.79
▸ PDE4C Q08493 7/20 0.79
▸ PDE4D Q08499 7/20 0.79
▸ HRH4 Q9H3N8 2/20 0.53
▸ CTNNB1 P35222 10/20 0.52
▸ TCF7L2 Q9NQB0 10/20 0.52
▸ PDE5A O76074 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3641690 0.79 CTNNB1 (0.76) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3643545 0.79 CTNNB1 (0.66) HRH4CTNNB1TCF7L2
SCHEMBL3639927 0.78 CTNNB1 (0.76) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3774097 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL29143528 0.76 CTNNB1 (0.59) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL20399843 0.76 CTNNB1 (0.56) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL20399100 0.76 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL26746341 0.76 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL14504164 0.76 HTT (0.54) CTNNB1TCF7L2ALDH1A1NPSR1
SCHEMBL3644600 0.76 CTNNB1 (0.55) PDE4APDE4BPDE4CPDE4DHRH4

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-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 — — US claimed
WO-2018134685-A2 COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2018-07-26 — — WO claimed
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
WO-2018134685-A2 COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2018-07-26 — — WO 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 (3 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-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.

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