SCHEMBL26083190

SCHEMBL26083190

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4C)n2)n[nH]1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.82
▸ JAK3 P52333 20/20 0.82
▸ JAK2 O60674 15/20 0.82
▸ JAK1 P23458 15/20 0.82
▸ P2RX3 P56373 1/20 0.72
▸ P2RX2 Q9UBL9 1/20 0.72

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
SCHEMBL21229652 0.96 TYK2 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23517233 0.96 TYK2 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24337136 0.92 TYK2 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23517261 0.90 TYK2 (0.76) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21574367 0.90 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21574361 0.90 TYK2 (0.87) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18269701 0.90 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22055028 0.90 TYK2 (0.76) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23889259 0.89 TYK2 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21229893 0.89 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3

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-11780852-B2 Methods for treating Crohn's disease 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) 2023-10-10 — — US disclosed
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds Theravance Biopharma R&D LP, LLC (US) 2023-08-29 — — 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-11780852-B2 Methods for treating Crohn's disease 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, SLC10A2 TYK2 1776/4885JAK3 351/4885JAK2 1867/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 TYK2 50/4885JAK3 2/4885JAK2 3/4885

“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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