SCHEMBL31247614

SCHEMBL31247614

CC(c1ccc(Nc2cc(Nc3ncccc3S(C)(=O)=O)ncn2)nc1)N1CC2(CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.36
▸ TYK2 P29597 4/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ VNN1 O95497 8/20 0.34
▸ BRAF P15056 2/20 0.34
▸ TNNI3K Q59H18 2/20 0.34
▸ KIT P10721 1/20 0.32
▸ BCL6 P41182 1/20 0.31
▸ OGA O60502 2/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ 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
▸ EGFR P00533 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
SCHEMBL31396641 1.00 JAK1 (0.36) JAK1TYK2JAK2KCNH2VNN1
SCHEMBL31247682 0.95 JAK1 (0.35) JAK1TYK2JAK2KCNH2VNN1
SCHEMBL31247630 0.95 JAK1 (0.35) JAK1TYK2JAK2KCNH2VNN1
SCHEMBL31247638 0.94 JAK1 (0.36) JAK1TYK2JAK2KCNH2VNN1
SCHEMBL31247462 0.92 TYK2 (0.37) JAK1TYK2JAK2KCNH2BRAF
SCHEMBL31247715 0.92 TYK2 (0.37) JAK1TYK2JAK2KCNH2BRAF
SCHEMBL31247569 0.92 TYK2 (0.37) JAK1TYK2JAK2KCNH2BRAF
SCHEMBL31247595 0.87 TYK2 (0.35) JAK1TYK2JAK2KCNH2BRAF
SCHEMBL31247484 0.85 JAK1 (0.38) JAK1TYK2JAK2KCNH2BRAF
SCHEMBL31247753 0.85 JAK1 (0.38) JAK1TYK2JAK2KCNH2BRAF

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

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