SCHEMBL23517233

SCHEMBL23517233

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

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.78
▸ JAK3 P52333 20/20 0.78
▸ P2RX3 P56373 1/20 0.77
▸ P2RX2 Q9UBL9 1/20 0.77
▸ JAK1 P23458 16/20 0.77
▸ JAK2 O60674 15/20 0.77

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 1.00 TYK2 (0.78) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL26083190 0.96 TYK2 (0.82) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL22055028 0.92 TYK2 (0.76) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL23517261 0.89 TYK2 (0.76) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24337136 0.88 TYK2 (0.78) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24286767 0.88 TYK2 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL21574352 0.87 JAK3 (0.74) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18269708 0.87 JAK3 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18263244 0.87 JAK3 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18271836 0.87 JAK3 (0.69) TYK2JAK3P2RX3P2RX2JAK1

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-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-17 — — 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 351/4885P2RX3 1441/4885
US-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 TYK2 6/4885JAK3 3/4885P2RX3 2203/4885

“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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