SCHEMBL21542061

SCHEMBL21542061

FCC1CCCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.43
PTPN11 Q06124 4/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
RBP4 P02753 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
CD38 P28907 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL20399017 0.89 CCR4 (0.42) CCR4PTPN11KDM4EPIP4K2CCD38
SCHEMBL21542047 0.89 TRPV1 (0.43) CCR4PTPN11KDM4EALDH1A1RBP4
SCHEMBL20399010 0.87 CCR4 (0.45) CCR4KDM4EALDH1A1PIP4K2CCD38
SCHEMBL20399571 0.87 CCR4 (0.45) CCR4KDM4EALDH1A1PIP4K2CCD38
SCHEMBL29737529 0.86 CCR4 (0.42) CCR4PTPN11RBP4PIP4K2CCD38
SCHEMBL21567328 0.86 CCR4 (0.42) CCR4PTPN11RBP4PIP4K2CCD38
SCHEMBL20399353 0.86 CCR4 (0.40) CCR4PTPN11KDM4ERBP4PIP4K2C
SCHEMBL29737530 0.86 CCR4 (0.40) CCR4PTPN11KDM4ERBP4PIP4K2C
SCHEMBL21542019 0.86 CCR4 (0.44) CCR4KDM4EALDH1A1PIP4K2CCD38
SCHEMBL21541971 0.85 CCR4 (0.43) CCR4PTPN11KDM4ERBP4PIP4K2C

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 13 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
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 CCR4 101/4885PTPN11 655/4885KDM4E 4107/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CCR4 3571/4885PTPN11 480/4885KDM4E 2942/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CCR4 752/4885PTPN11 3665/4885KDM4E 2995/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CCR4 3139/4885PTPN11 558/4885KDM4E 2562/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 CCR4 2777/4885PTPN11 2365/4885KDM4E 533/4885

“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.