SCHEMBL21542052

SCHEMBL21542052

CC(C)Nc1nc(N)c2c(Cc3ccc(C#N)cc3)cccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.39
DCPS Q96C86 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
APP P05067 3/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
SLC2A1 P11166 1/20 0.35
ELANE P08246 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CTSK P43235 1/20 0.34
NTRK1 P04629 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
F2 P00734 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL21542012 0.85 HTR7 (0.41) DHFRDCPSAPPBCHEACHE
SCHEMBL21541996 0.85 APP (0.46) DHFRDCPSAPPBCHEACHE
SCHEMBL21541976 0.77 DCPS (0.44) DHFRDCPSAPPBCHEACHE
SCHEMBL21542046 0.77 DHFR (0.44) DHFRDCPSTLR8TLR7APP
SCHEMBL30493663 0.69 ELANE (0.46) DHFRDCPSAPPELANEMAPK1
SCHEMBL3642615 0.68 APP (0.57) APPNTRK1AURKAGRK6
SCHEMBL30092903 0.68 ACHE (0.77) APPBCHEACHENTRK1LMNA
SCHEMBL21567312 0.68 ACHE (0.77) APPBCHEACHENTRK1LMNA
Hydrochloric Acid SCHEMBL3779550 0.68 KCNH3 (0.50) MAPK1ALDH1A1TP53ALOX15
SCHEMBL3638423 0.67 KCNH3 (0.47) DHFRDCPSTLR8TLR7APP

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 DHFR 103/4885DCPS 672/4885TLR8 2690/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 DHFR 78/4885DCPS 1048/4885TLR8 1614/4885

“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.