SCHEMBL25324883

SCHEMBL25324883

CNC(=O)c1ccccc1CN1CC2(C1)CN(C(=O)N1CC3(CC(c4nnc(C5CC5)[nH]4)C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 9/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ SCD5 Q86SK9 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CCKAR P32238 2/20 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
SCHEMBL25326355 0.89 SIRT1 (0.36) JAK1JAK2CYP2D6CYP3A4PDCD1LG2
SCHEMBL25325337 0.89 ALDH1A1 (0.40) CYP2D6CYP3A4CYP2C19MGLLSCD5
SCHEMBL25326089 0.82 NR3C1 (0.34) CYP2D6CYP3A4PDCD1LG2CD274CYP2C19
SCHEMBL25323137 0.80 CYP3A4 (0.30) CYP2D6CYP3A4
SCHEMBL30700387 0.77 JAK1 (0.35) CBLBJAK1JAK2TYK2JAK3
SCHEMBL25325561 0.77 DRD3 (0.42) —
SCHEMBL25326091 0.76 ALDH1A1 (0.39) JAK1JAK2TYK2JAK3
SCHEMBL25326561 0.76 ALPI (0.35) MGLL
SCHEMBL30553160 0.76 CD274 (0.33) CYP2D6CYP3A4PDCD1LG2CD274CYP2C19
SCHEMBL30553298 0.75 CD274 (0.34) CYP2D6CYP3A4PDCD1LG2CD274CYP2C19

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 CBLB 3933/4885JAK1 2863/4885JAK2 1296/4885

“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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