SCHEMBL31247612

SCHEMBL31247612

COc1ccnc(Nc2cc(N)ncn2)c1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.42
▸ CCNB1 P14635 3/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ EGFR P00533 3/20 0.38
▸ ERBB3 P21860 2/20 0.38
▸ CCNT1 O60563 5/20 0.37
▸ CDK9 P50750 5/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ ABL2 P42684 2/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL31247671 0.81 GRM5 (0.54) JAK2TYK2ALDH1A1MAPK1KMT2A
SCHEMBL31247628 0.77 JAK2 (0.38) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL31247372 0.74 CDK1 (0.46) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL31300245 0.74 CDK1 (0.46) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL31247584 0.73 MTOR (0.42) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL31247799 0.71 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL24587264 0.68 CA12 (0.40) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL15711339 0.65 EGFR (0.42) CDK1CCNB1CCNA2CDK2CDK5
SCHEMBL25289237 0.65 GAA (0.39) CDK5CDK9MAP4K4GSK3ACDK7
SCHEMBL31300236 0.65 CDK1 (0.48) CDK1CCNB1CCNA2CDK2CDK5

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 CDK1 699/4885CCNB1 2851/4885CCNA2 2586/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 CDK1 423/4885CCNB1 2570/4885CCNA2 1887/4885

“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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