SCHEMBL31247579

SCHEMBL31247579

CC(C)[C@@H](c1ccc(Nc2cc(Nc3ncccc3S(C)(=O)=O)ncn2)nc1)N1CC2(COC2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.38
▸ JAK1 P23458 11/20 0.38
▸ JAK2 O60674 9/20 0.36
▸ KCNH2 Q12809 6/20 0.36
▸ KIT P10721 3/20 0.35
▸ BRAF P15056 2/20 0.35
▸ TNNI3K Q59H18 1/20 0.35
▸ JAK3 P52333 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ BMPR1B O00238 1/20 0.30
▸ BMPR1A P36894 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVRL1 P37023 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL31247462 0.92 TYK2 (0.37) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247715 0.92 TYK2 (0.37) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247569 0.92 TYK2 (0.37) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247786 0.87 JAK1 (0.35) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247682 0.85 JAK1 (0.35) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247630 0.85 JAK1 (0.35) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31396641 0.83 JAK1 (0.36) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247614 0.83 JAK1 (0.36) TYK2JAK1JAK2KCNH2KIT
SCHEMBL31247634 0.82 JAK1 (0.35) TYK2JAK1JAK2JAK3BMPR1B
SCHEMBL31247661 0.81 TYK2 (0.34) TYK2JAK1JAK2KCNH2KIT

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 9/4885JAK2 16/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 TYK2 1/4885JAK1 5/4885JAK2 3/4885

“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.

Send feedback