SCHEMBL31247566

SCHEMBL31247566

COc1cnc(Nc2cc(Nc3ccc([C@H](C)N4CC5(COC5)C4)cn3)ncn2)c(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ BRAF P15056 3/20 0.35
▸ TNNI3K Q59H18 1/20 0.35
▸ BMPR1B O00238 6/20 0.34
▸ BMPR1A P36894 6/20 0.34
▸ TGFBR1 P36897 6/20 0.34
▸ ACVRL1 P37023 6/20 0.34
▸ ACVR1 Q04771 6/20 0.34
▸ GCK P35557 1/20 0.32
▸ CHRM2 P08172 3/20 0.31
▸ GHSR Q92847 3/20 0.31
▸ PIK3CA P42336 4/20 0.30
▸ MTOR P42345 4/20 0.30
▸ OGA O60502 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
SCHEMBL31247568 0.88 BRAF (0.43) JAK2JAK1TYK2KCNH2BRAF
SCHEMBL31247659 0.88 BRAF (0.36) JAK2JAK1TYK2KCNH2KIT
SCHEMBL31247516 0.88 BRAF (0.43) JAK2JAK1TYK2KCNH2BRAF
SCHEMBL31247462 0.86 TYK2 (0.37) JAK2JAK1TYK2KCNH2KIT
SCHEMBL31247715 0.86 TYK2 (0.37) JAK2JAK1TYK2KCNH2KIT
SCHEMBL31247569 0.86 TYK2 (0.37) JAK2JAK1TYK2KCNH2KIT
SCHEMBL31247537 0.85 BMPR1B (0.35) JAK2JAK1TYK2KCNH2BRAF
SCHEMBL31247414 0.83 BRAF (0.36) BRAFTNNI3KBMPR1BBMPR1ATGFBR1
SCHEMBL31247682 0.80 JAK1 (0.35) JAK2JAK1TYK2KCNH2KIT
SCHEMBL31247630 0.80 JAK1 (0.35) JAK2JAK1TYK2KCNH2KIT

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

“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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