SCHEMBL21542020

SCHEMBL21542020

COc1ccc(CNc2nc(N)nc3cc(C(C)C)sc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.57
EGFR P00533 2/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NCF1 P14598 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CHRM4 P08173 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL21541991 0.88 APP (0.62) APPEGFRPDE4APDE4BPDE4C
SCHEMBL21542027 0.81 EGFR (0.47) APPEGFRPDE4APDE4BPDE4C
SCHEMBL21542044 0.74 APP (0.64) APPEGFRNCF1TLR8TLR7
SCHEMBL21542048 0.73 EGFR (0.44) APPEGFRTLR8TLR7CDK1
SCHEMBL2256525 0.72 APP (1.00) APPEGFRNCF1
SCHEMBL3391705 0.70 APP (0.61) APPEGFRNCF1HRH4NPC1
SCHEMBL23392698 0.68 APP (0.59) APPEGFRMEN1KMT2A
SCHEMBL30092898 0.68 DHFR (0.37) TLR8TLR7NPC1RAB9A
SCHEMBL28736433 0.68 APP (0.56) APPNCF1HRH4
SCHEMBL22164649 0.67 APP (0.63) APPEGFR

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 4673/4885PDE4A 1803/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 APP 4242/4885EGFR 4282/4885PDE4A 2160/4885

“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.