SCHEMBL25326143

SCHEMBL25326143

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CN(Cc3ncc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.38
▸ USP2 O75604 6/20 0.33
▸ CYP2D6 P10635 5/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ EGLN3 Q9H6Z9 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL25325597 0.88 TEAD1 (0.37) MGLLHPGDSMN1; SMN2
SCHEMBL25323891 0.87 MGLL (0.46) MGLLCNR2
SCHEMBL25326821 0.85 MGLL (0.38) MGLLUSP2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL25325166 0.84 MGLL (0.38) MGLLUSP2CYP2D6HPGDCYP3A4
SCHEMBL30553322 0.83 MGLL (0.37) MGLLUSP2CYP2D6EGLN2EGLN1
SCHEMBL25324240 0.83 MGLL (0.37) MGLLUSP2CYP2D6EGLN2EGLN1
SCHEMBL25327779 0.81 LMNA (0.45) HPGDSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL25324331 0.81 MGLL (0.37) MGLLUSP2CYP2D6CYP3A4TSHR
SCHEMBL25325658 0.80 MGLL (0.45) MGLL
SCHEMBL25325093 0.80 MGLL (0.35) MGLLUSP2CYP3A4CYP1A2CYP2C9

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 MGLL 3523/4885USP2 3639/4885CYP2D6 12/4885

“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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