SCHEMBL21542047

SCHEMBL21542047

CC1CCCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
CCR4 P51679 3/20 0.42
TLR7 Q9NYK1 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.38
CD38 P28907 1/20 0.37
ACHE P22303 2/20 0.36
PTPN11 Q06124 3/20 0.36
KDM4E B2RXH2 3/20 0.35
RBP4 P02753 1/20 0.35
CDK1 P06493 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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) TRPV1CCR4PIP4K2CCD38PTPN11
SCHEMBL21541982 0.89 ACHE (0.47) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL21542061 0.89 CCR4 (0.43) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL20399010 0.88 CCR4 (0.45) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL20399571 0.88 CCR4 (0.45) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL21567328 0.87 CCR4 (0.42) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL29737529 0.87 CCR4 (0.42) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL20399353 0.87 CCR4 (0.40) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL29737530 0.87 CCR4 (0.40) TRPV1CCR4PIP4K2CCD38ACHE
SCHEMBL21542019 0.87 CCR4 (0.44) TRPV1CCR4PIP4K2CCD38ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 TRPV1 1520/4885CCR4 3571/4885TLR7 1083/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 TRPV1 399/4885CCR4 752/4885TLR7 1825/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 TRPV1 1038/4885CCR4 3139/4885TLR7 661/4885

“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.