SCHEMBL24155243

SCHEMBL24155243

N#Cc1ccc(C2CC2)nc1NC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
LRRK2 Q5S007 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
ACHE P22303 3/20 0.38
TTK P33981 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MBOAT4 Q96T53 1/20 0.38
OPRL1 P41146 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSK P43235 2/20 0.36
IKBKE Q14164 4/20 0.36
TBK1 Q9UHD2 4/20 0.36

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
SCHEMBL30283211 1.00 NSD2 (0.41) NSD2LRRK2IRAK4ACHETTK
SCHEMBL30319984 0.92 CTSK (0.42) NSD2LRRK2IRAK4ACHEALDH1A1
SCHEMBL24154769 0.92 CTSK (0.42) NSD2LRRK2IRAK4ACHEALDH1A1
SCHEMBL25305718 0.88 IRAK4 (0.36) NSD2LRRK2IRAK4ACHEALDH1A1
SCHEMBL24154923 0.84 JAK2 (0.38) IRAK4ACHEALDH1A1MBOAT4CTSK
SCHEMBL24155296 0.84 JAK2 (0.38) IRAK4ACHEALDH1A1MBOAT4CTSK
SCHEMBL25307503 0.84 JAK2 (0.38) IRAK4ACHEALDH1A1MBOAT4CTSK
SCHEMBL30283042 0.83 ALDH1A1 (0.39) IRAK4ACHEALDH1A1MBOAT4CTSK
SCHEMBL30283395 0.78 CHUK (0.42) IRAK4ACHEALDH1A1MBOAT4
SCHEMBL30319959 0.78 CHUK (0.42) IRAK4ACHEALDH1A1MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
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
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US 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 (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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 NSD2 2806/4885LRRK2 2116/4885IRAK4 1092/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 NSD2 2806/4885LRRK2 2116/4885IRAK4 1092/4885

“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.