SCHEMBL24155296

SCHEMBL24155296

N#Cc1ccc(C2CC2)nc1N[C@H]1CCCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDH1 O75874 1/20 0.37
CTSK P43235 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
CD38 P28907 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
SCN9A Q15858 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CHUK O15111 1/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL25307503 1.00 JAK2 (0.38) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL24154923 1.00 JAK2 (0.38) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL30283042 0.96 ALDH1A1 (0.39) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL24154769 0.92 CTSK (0.42) ALDH1A1CTSKMBOAT4PDE1APDE1B
SCHEMBL30319984 0.92 CTSK (0.42) ALDH1A1CTSKMBOAT4PDE1APDE1B
SCHEMBL25305718 0.91 IRAK4 (0.36) JAK2JAK1ALDH1A1CTSKMBOAT4
SCHEMBL25306447 0.86 JAK2 (0.36) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL24154957 0.86 JAK2 (0.36) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL25306451 0.86 JAK2 (0.36) JAK2JAK1GBA1ALDH1A1IDH1
SCHEMBL30283045 0.86 JAK2 (0.36) JAK2JAK1GBA1ALDH1A1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 CN disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO 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 (1 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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 JAK2 742/4885JAK1 1078/4885GBA1 2924/4885

“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.