SCHEMBL31247686

SCHEMBL31247686

Cn1cc(-c2ccnc(Nc3cc(Nc4ccc(NC5(C)COC5)cn4)ncn3)c2S(C)(=O)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.37
▸ PIP4K2B P78356 1/20 0.37
▸ PIP4K2C Q8TBX8 1/20 0.37
▸ MAPK10 P53779 3/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ TTK P33981 4/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CCNB2 O95067 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CDK5 Q00535 2/20 0.32

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
SCHEMBL31247584 0.79 MTOR (0.42) PIP4K2APIP4K2BPIP4K2CMAPK10MKNK1
SCHEMBL31247653 0.78 TYK2 (0.40) BRAFTNNI3K
SCHEMBL31247808 0.74 TNNI3K (0.35) BRAFTNNI3K
SCHEMBL31247721 0.68 TYK2 (0.34) BRAFTNNI3K
SCHEMBL31247725 0.67 TYK2 (0.42) BRAFTNNI3K
SCHEMBL31247618 0.67 TYK2 (0.41) TTKCDK2CCNE1BRAFTNNI3K
SCHEMBL31247604 0.66 TYK2 (0.41) BRAFTNNI3K
SCHEMBL31247365 0.64 TYK2 (0.37) BRAFTNNI3K
SCHEMBL31247475 0.64 AURKA (0.46) TTKCDK2BRD4CCNB2CDK1
SCHEMBL25287077 0.60 TYK2 (0.36) PIP4K2APIP4K2BPIP4K2CTTKCDK2

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 PIP4K2A 1542/4885PIP4K2B 1456/4885PIP4K2C 1197/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 PIP4K2A 445/4885PIP4K2B 436/4885PIP4K2C 415/4885

“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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