SCHEMBL31247445

SCHEMBL31247445

CS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 5/20 0.42
▸ BRAF P15056 4/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ SCN9A Q15858 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ EGFR P00533 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ GCK P35557 1/20 0.35

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
SCHEMBL31247667 0.84 CDK1 (0.42) TNNI3KBRAFCDK1CCNB1CCNA2
SCHEMBL31247799 0.82 CDK1 (0.40) TNNI3KCDK1CCNB1CCNA2CCNE1
SCHEMBL31247713 0.77 CDK1 (0.36) TNNI3KBRAFCDK1CCNB1CCNA2
SCHEMBL31300245 0.77 CDK1 (0.46) TNNI3KCDK1CCNB1CCNA2CCNE1
SCHEMBL31247372 0.77 CDK1 (0.46) TNNI3KCDK1CCNB1CCNA2CCNE1
SCHEMBL31247620 0.75 SCN9A (0.42) TNNI3KCDK1CCNB1CCNA2CCNE1
SCHEMBL28846981 0.75 LRRK2 (0.39) TNNI3KBRAFMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL28846926 0.73 LRRK2 (0.38) TNNI3KBRAFMEN1HTTKMT2A
SCHEMBL31247613 0.73 CDK1 (0.45) TNNI3KBRAFCDK1CCNB1CCNA2
SCHEMBL31247406 0.70 CDK1 (0.48) TNNI3KBRAFCDK1CCNB1CCNA2

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 6 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-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 — — US disclosed
US-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 — — US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 — — 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 (4 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-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 TNNI3K 69/4885BRAF 381/4885CDK1 423/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 TNNI3K 260/4885BRAF 598/4885CDK1 699/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 TNNI3K 69/4885BRAF 381/4885CDK1 423/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 TNNI3K 69/4885BRAF 381/4885CDK1 423/4885

“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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