SCHEMBL21676052

SCHEMBL21676052

CCC[C@H]1C[C@H](Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C[C@@H](C)N1C(=O)CN(C)C

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.73
▸ JAK3 P52333 20/20 0.73
▸ JAK1 P23458 16/20 0.73
▸ JAK2 O60674 15/20 0.73
▸ P2RX3 P56373 1/20 0.56
▸ P2RX2 Q9UBL9 1/20 0.56

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
SCHEMBL18260339 0.85 JAK3 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL18269703 0.85 JAK3 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL29566062 0.85 JAK3 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL21574331 0.85 JAK3 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL18260341 0.85 JAK3 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL19503874 0.85 TYK2 (0.64) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL21574326 0.82 TYK2 (0.76) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL19217030 0.80 TYK2 (0.63) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24337195 0.80 TYK2 (0.64) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL19503933 0.79 TYK2 (0.64) TYK2JAK3JAK1JAK2P2RX3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947254-B2 Methods for treating ulcerative colitis using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-16 — — US disclosed
US-20200040010-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-06 — — US 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-10947254-B2 Methods for treating ulcerative colitis using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile ALPI, TPMT, SI TYK2 3376/4885JAK3 1296/4885JAK1 1599/4885
US-20200040010-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 TYK2 6/4885JAK3 3/4885JAK1 1/4885

“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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