SCHEMBL21542044

SCHEMBL21542044

COc1ccc(CNc2nc(N)nc3cccc(C(C)C)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.64
EGFR P00533 4/20 0.49
NCF1 P14598 1/20 0.46
POLB P06746 1/20 0.46
NR2F2 P24468 1/20 0.46
DHFR P00374 2/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL21542014 0.81 CYP1A2 (0.55) APPEGFRDHFRTLR8TLR7
SCHEMBL2256525 0.78 APP (1.00) APPEGFRNCF1POLBNR2F2
SCHEMBL21542020 0.74 APP (0.57) APPEGFRNCF1TLR8TLR7
SCHEMBL13975909 0.72 CYP1A2 (0.60) APPDHFRTLR8TLR7
SCHEMBL3110419 0.71 CCNE1 (0.52) APPEGFRNCF1POLBNR2F2
SCHEMBL3112153 0.71 EGFR (0.54) APPEGFRNCF1POLBNR2F2
SCHEMBL3113145 0.71 APP (0.45) APPEGFRNCF1POLBNR2F2
SCHEMBL3120767 0.71 LMNA (0.46) APPEGFRNCF1POLBNR2F2
SCHEMBL3115205 0.71 CCNE2 (0.51) APPEGFRPOLBNR2F2
SCHEMBL3116820 0.70 APP (0.49) APPEGFRNCF1POLBNR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 APP 2829/4885EGFR 4673/4885NCF1 423/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 APP 4242/4885EGFR 4282/4885NCF1 2142/4885

“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.