SCHEMBL18269689

SCHEMBL18269689

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

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.75
▸ JAK3 P52333 20/20 0.75
▸ JAK2 O60674 15/20 0.75
▸ JAK1 P23458 15/20 0.75
▸ P2RX3 P56373 1/20 0.64
▸ P2RX2 Q9UBL9 1/20 0.64

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
SCHEMBL29565856 1.00 TYK2 (0.75) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL29512168 1.00 TYK2 (0.75) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL26323063 0.97 JAK3 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260446 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260449 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23878845 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22054114 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL31304735 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21574333 0.86 TYK2 (0.79) TYK2JAK3JAK2JAK1
SCHEMBL19469201 0.86 TYK2 (0.79) TYK2JAK3JAK2JAK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795180-B2 Formulation of a pan-JAK inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-24 — — US disclosed
US-11795180-B2 Formulation of a pan-JAK inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-10-24 — — US disclosed
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-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
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
EP-4225754-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS Theravance Biopharma R&D IP, LLC (US) 2023-08-16 — — EP disclosed
EP-3569604-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2022-07-06 — — EP disclosed
US-20220112220-A1 FORMULATION OF A PAN-JAK INHIBITOR THERAVANCE BIOPHARMA R&D IP, LLC 2022-04-14 — — US disclosed
US-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2022-04-14 — — US disclosed
EP-3569604-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2019-11-20 — — EP disclosed
EP-3303348-B1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2019-08-07 — — EP disclosed
US-10072026-B2 Crystalline form of 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) 2018-09-11 — — US disclosed
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-26 — — US disclosed
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-26 — — US disclosed
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-26 — — US disclosed
US-9725470-B2 Substituted naphthyridines as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-9725470-B2 Substituted naphthyridines as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — US disclosed
US-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — 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 (8 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-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 TYK2 6/4885JAK3 3/4885JAK2 2/4885
US-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS JAK1, JAK3, JAK2 TYK2 50/4885JAK3 2/4885JAK2 3/4885
US-20220112220-A1 FORMULATION OF A PAN-JAK INHIBITOR JAK1, JAK3, JAK2 TYK2 12/4885JAK3 2/4885JAK2 3/4885
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-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 TYK2 6/4885JAK3 3/4885JAK2 2/4885
US-11795180-B2 Formulation of a pan-JAK inhibitor JAK1, JAK3, JAK2 TYK2 12/4885JAK3 2/4885JAK2 3/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 TYK2 50/4885JAK3 2/4885JAK2 3/4885
US-10072026-B2 Crystalline form of 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 JAK1, JAK3, MAP3K1 TYK2 38/4885JAK3 2/4885JAK2 8/4885

“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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