SCHEMBL26601649

SCHEMBL26601649

Cc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(-c2cccc(C#N)n2)c(C)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.34
▸ CTSS P25774 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ EIF4E P06730 1/20 0.30
▸ PSD A5PKW4 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
SCHEMBL26707612 0.87 ADORA2A (0.33) —
SCHEMBL26601855 0.82 SCN9A (0.36) —
SCHEMBL26601926 0.76 KMO (0.35) TYK2
SCHEMBL30624550 0.76 KMO (0.35) TYK2
SCHEMBL30624653 0.75 NPY5R (0.32) —
SCHEMBL26601846 0.75 NPY5R (0.32) —
SCHEMBL30624548 0.74 JAK2 (0.31) —
SCHEMBL26601592 0.73 EZH2 (0.36) —
SCHEMBL26601879 0.73 — —
SCHEMBL26602678 0.72 KDM5B (0.33) PSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 — — US disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — 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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 CCR9 464/4885CTSS 2172/4885KDM4E 4567/4885

“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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