SCHEMBL25323942

SCHEMBL25323942

COc1cc(COC2CCN(C(=O)N3CC4(CC(c5nc(C6CC6)n[nH]5)C4)C3)CC2)ccc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.35
▸ CHEK1 O14757 7/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ RET P07949 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ NEK2 P51955 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
SCHEMBL25326068 0.88 FASN (0.40) CHEK1
SCHEMBL25327430 0.78 MGLL (0.40) NTRK1NTRK3NTRK2MGLL
SCHEMBL25323206 0.75 ENPP2 (0.42) ITGB3ITGA2BMGLL
SCHEMBL30700157 0.75 PARP15 (0.38) HTR2BCHEK1AURKAPRKD3PAK4
SCHEMBL25325164 0.74 ENPP2 (0.46) HTR2BMGLL
SCHEMBL25327659 0.74 MGLL (0.35) ITGB3ITGA2BMGLL
SCHEMBL25325078 0.73 LMNA (0.34) HTR2BCHEK1AURKAPRKD3PAK4
SCHEMBL25324872 0.73 MGLL (0.40) NTRK1NTRK3NTRK2MGLL
SCHEMBL25327600 0.73 MGLL (0.35) PARP1ITGB3ITGA2BMGLL
SCHEMBL30553316 0.73 MGLL (0.40) NTRK1NTRK3NTRK2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 HTR2B 106/4885CHEK1 4635/4885AURKA 3598/4885

“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.

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