SCHEMBL31247653

SCHEMBL31247653

CC1(Nc2ccc(Nc3cc(Nc4ncccc4S(C)(=O)=O)ncn3)nc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.40
▸ JAK1 P23458 8/20 0.40
▸ TNNI3K Q59H18 6/20 0.39
▸ BRAF P15056 3/20 0.39
▸ JAK2 O60674 7/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ KIT P10721 3/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GCK P35557 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
SCHEMBL31247808 0.93 TNNI3K (0.35) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247725 0.89 TYK2 (0.42) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247604 0.87 TYK2 (0.41) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247618 0.86 TYK2 (0.41) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247721 0.85 TYK2 (0.34) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247365 0.85 TYK2 (0.37) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247749 0.78 TYK2 (0.38) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247686 0.78 PIP4K2A (0.37) TNNI3KBRAF
SCHEMBL31247569 0.77 TYK2 (0.37) TYK2JAK1TNNI3KBRAFJAK2
SCHEMBL31247458 0.72 GCK (0.46) TYK2JAK1TNNI3KJAK2EGFR

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
EP-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 — — EP disclosed
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ATOMWISE INC (US) 2026-02-19 — — US disclosed
US-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 — — US disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 — — 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 (2 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-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 TYK2 1/4885JAK1 9/4885TNNI3K 260/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 TYK2 1/4885JAK1 5/4885TNNI3K 69/4885

“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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