SCHEMBL21541963

SCHEMBL21541963

FC(F)(F)c1ncccc1CNc1nc(N2CCOCC2)nc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.48
ACHE P22303 1/20 0.45
CCR4 P51679 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CSNK1D P48730 2/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
CSNK1E P49674 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL26748903 0.92 PDE5A (0.47) PDE5AACHECCR4KDM4EALDH1A1
SCHEMBL20399010 0.91 CCR4 (0.45) PDE5AACHECCR4KDM4EALDH1A1
SCHEMBL20399571 0.91 CCR4 (0.45) PDE5AACHECCR4KDM4EALDH1A1
SCHEMBL20399105 0.90 CCR4 (0.45) PDE5AACHECCR4KDM4EPIP4K2C
SCHEMBL21542019 0.90 CCR4 (0.44) ACHECCR4KDM4EALDH1A1PIP4K2C
SCHEMBL27188515 0.89 PDE5A (0.50) PDE5AACHECCR4KDM4EALDH1A1
SCHEMBL20399082 0.87 CCR4 (0.41) PDE5AACHECCR4PIP4K2CTRPV1
SCHEMBL21541982 0.86 ACHE (0.47) PDE5AACHECCR4PIP4K2CTRPV1
SCHEMBL21541983 0.86 CCR4 (0.44) PDE5AACHECCR4KDM4EPIP4K2C
SCHEMBL20399087 0.86 CCR4 (0.41) PDE5AACHECCR4PIP4K2CCTNNB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US claimed
EP-4277631-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL Liverpool School of Tropical Medicine (GB) 2023-11-22 EP claimed
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US claimed
WO-2022152918-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-07-21 WO claimed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US claimed
US-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2026-02-10 US disclosed
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US disclosed
EP-4277631-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL Liverpool School of Tropical Medicine (GB) 2023-11-22 EP 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
WO-2022152918-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-07-21 WO 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 (5 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 PDE5A 4397/4885ACHE 2483/4885CCR4 101/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PDE5A 2823/4885ACHE 1710/4885CCR4 3571/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PDE5A 819/4885ACHE 297/4885CCR4 752/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PDE5A 2013/4885ACHE 1142/4885CCR4 3139/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 PDE5A 400/4885ACHE 686/4885CCR4 2777/4885

“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.