SCHEMBL31247671

SCHEMBL31247671

COc1ccnc(Nc2cc(Nc3cccc(C)n3)ncn2)c1S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 15/20 0.54
▸ ASIC3 Q9UHC3 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.39

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
SCHEMBL31247612 0.81 CDK1 (0.42) KMT2AJAK2TYK2ALDH1A1MAPK1
SCHEMBL31247520 0.79 GRM5 (0.54) GRM5ASIC3KDM4EJAK1TYK2
SCHEMBL31247813 0.74 GRM5 (0.58) GRM5ASIC3KDM4EALDH1A1HTT
SCHEMBL31247652 0.72 GRM5 (0.45) GRM5ASIC3KDM4EJAK2JAK1
SCHEMBL25289237 0.71 GAA (0.39) KDM4EGAAJAK2TYK2ALDH1A1
SCHEMBL5582792 0.71 GRM5 (1.00) GRM5ASIC3
SCHEMBL31247774 0.71 GRM5 (0.84) GRM5ASIC3KMT2AHTT
SCHEMBL31247691 0.70 TNNI3K (0.42) GRM5KDM4EJAK2JAK1TYK2
SCHEMBL31247468 0.69 KDM4E (0.47) KDM4EJAK2JAK1TYK2JAK3
SCHEMBL31247545 0.68 EGFR (0.52) GRM5ASIC3JAK2JAK1TYK2

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 GRM5 1437/4885ASIC3 2671/4885KDM4E 642/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 GRM5 2396/4885ASIC3 2980/4885KDM4E 302/4885

“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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