SCHEMBL25324350

SCHEMBL25324350

O=C(N1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ PREP P48147 1/20 0.38
▸ GPR183 P32249 3/20 0.38
▸ USP2 O75604 7/20 0.37
▸ CYP3A4 P08684 6/20 0.37
▸ TSHR P16473 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL30553251 1.00 MGLL (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL25325530 0.94 PPARD (0.42) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30553276 0.94 PPARD (0.42) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30553139 0.87 MGLL (0.39) MGLLPREPCYP3A4ENPP2
SCHEMBL25324702 0.87 MGLL (0.39) MGLLPREPCYP3A4ENPP2
SCHEMBL25325319 0.86 TEAD1 (0.41) MGLLGPR183USP2CYP3A4TSHR
SCHEMBL30553187 0.85 MGLL (0.44) MGLLPREPCYP3A4ENPP2
SCHEMBL25324758 0.85 MGLL (0.44) MGLLPREPCYP3A4ENPP2
SCHEMBL25325955 0.84 MGLL (0.40) MGLLPREPCYP3A4ENPP2
SCHEMBL30553282 0.84 MGLL (0.40) MGLLPREPCYP3A4ENPP2

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-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US 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
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 3523/4885JAK2 1296/4885JAK1 2863/4885

“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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