SCHEMBL25324564

SCHEMBL25324564

O=C(N1CC2(CC(NCc3ccc(C(F)(F)F)cc3F)C2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.38
▸ ATXN2 Q99700 5/20 0.38
▸ PDE2A O00408 6/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MGLL Q99685 5/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL25325835 0.95 MGLL (0.37) ENPP2ATXN2PDE2AJAK2JAK1
SCHEMBL25325418 0.92 MGLL (0.36) ENPP2ATXN2PDE2AJAK2JAK1
SCHEMBL25322265 0.88 POLB (0.39) ENPP2ATXN2PDE2AMGLL
SCHEMBL25325656 0.86 MGLL (0.44) ENPP2ATXN2PDE2AJAK2JAK1
SCHEMBL25325226 0.85 FAAH (0.38) PDE2AMGLLPDCD1LG2CD274
SCHEMBL25323714 0.85 ENPP2 (0.43) ENPP2ATXN2JAK2JAK1TYK2
SCHEMBL25325023 0.84 ENPP2 (0.35) ENPP2ATXN2MGLL
SCHEMBL25324075 0.84 P2RX7 (0.37) PDE2AMGLLPDCD1LG2CD274SLC6A4
SCHEMBL25326498 0.83 PDE2A (0.38) ENPP2ATXN2PDE2AMGLL
SCHEMBL25324545 0.83 ENPP2 (0.41) ENPP2ATXN2PDE2AMGLLSLC6A4

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
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
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 ENPP2 3934/4885ATXN2 1263/4885PDE2A 1875/4885

“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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