SCHEMBL21542048

SCHEMBL21542048

CC(C)c1cc2nc(N)nc(NCc3ccccc3C(F)(F)F)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
CDK1 P06493 2/20 0.41
APP P05067 5/20 0.39
ACP1 P24666 1/20 0.37
CYP3A4 P08684 1/20 0.37
CD38 P28907 1/20 0.37
LMNA P02545 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
PTPN1 P18031 3/20 0.36
NPR1 P16066 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21542027 0.82 EGFR (0.47) EGFRTLR8TLR7CDK1APP
SCHEMBL21542020 0.73 APP (0.57) EGFRTLR8TLR7CDK1APP
SCHEMBL21541991 0.73 APP (0.62) EGFRTLR8TLR7CDK1APP
SCHEMBL20399303 0.67 PDE4A (0.45) CDK1APPNPR1
SCHEMBL21567287 0.67 PDE4A (0.52) EGFRCDK1LMNAHDAC3HDAC1
SCHEMBL21567283 0.67 PIP4K2C (0.55) EGFRTLR8TLR7CDK1APP
SCHEMBL20399015 0.67 PDE4A (0.46) EGFRCDK1LMNA
SCHEMBL30092898 0.66 DHFR (0.37) TLR8TLR7
SCHEMBL20399064 0.65 ADORA2A (0.46) EGFRCDK1
SCHEMBL20399129 0.65 PDE4A (0.44) EGFR

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 3 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-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

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 EGFR 4435/4885TLR8 2539/4885TLR7 1083/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 EGFR 4673/4885TLR8 2690/4885TLR7 1825/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 EGFR 4282/4885TLR8 1614/4885TLR7 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.