SCHEMBL21541982

SCHEMBL21541982

CC1CCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
CCR4 P51679 3/20 0.44
PIP4K2C Q8TBX8 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
CD38 P28907 1/20 0.39
PDE5A O76074 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PTPN11 Q06124 1/20 0.36
PTK2 Q05397 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL20399105 0.92 CCR4 (0.45) ACHECCR4PIP4K2CCD38PDE5A
SCHEMBL20399161 0.90 CCR4 (0.47) ACHECCR4PIP4K2CCD38PDE5A
SCHEMBL21541983 0.90 CCR4 (0.44) ACHECCR4PIP4K2CCD38PDE5A
SCHEMBL21567329 0.90 ACHE (0.42) ACHECCR4TRPV1CD38HPGD
SCHEMBL29737562 0.90 ACHE (0.48) ACHECCR4PIP4K2CTRPV1
SCHEMBL20399010 0.89 CCR4 (0.45) ACHECCR4PIP4K2CTRPV1CD38
SCHEMBL20399571 0.89 CCR4 (0.45) ACHECCR4PIP4K2CTRPV1CD38
SCHEMBL21542047 0.89 TRPV1 (0.43) ACHECCR4PIP4K2CTRPV1CD38
SCHEMBL21567328 0.89 CCR4 (0.42) ACHECCR4PIP4K2CTRPV1CD38
SCHEMBL29737529 0.89 CCR4 (0.42) ACHECCR4PIP4K2CTRPV1CD38

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 ACHE 1710/4885CCR4 3571/4885PIP4K2C 298/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 ACHE 297/4885CCR4 752/4885PIP4K2C 3380/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 ACHE 1142/4885CCR4 3139/4885PIP4K2C 221/4885

“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.