SCHEMBL18271836

SCHEMBL18271836

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4)n2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.69
▸ TYK2 P29597 19/20 0.69
▸ P2RX3 P56373 1/20 0.69
▸ P2RX2 Q9UBL9 1/20 0.69
▸ JAK1 P23458 14/20 0.68
▸ JAK2 O60674 13/20 0.68

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
SCHEMBL30569770 1.00 JAK3 (0.69) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL21229505 1.00 JAK3 (0.69) JAK3TYK2P2RX3P2RX2JAK1
Hydrochloric Acid SCHEMBL30569787 0.99 JAK3 (0.68) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL29707886 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL21229857 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL24594223 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL18269690 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL24337003 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL22055026 0.88 TYK2 (0.63) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL21676342 0.87 TYK2 (0.69) JAK3TYK2P2RX3P2RX2JAK1

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 10 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
US-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-17 — — US disclosed
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
EP-3303348-B1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2019-08-07 — — EP 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-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — US disclosed
WO-2016191524-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — 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 (7 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 JAK3 3/4885TYK2 6/4885P2RX3 2203/4885
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 JAK3 351/4885TYK2 1776/4885P2RX3 1441/4885
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 JAK3 1296/4885TYK2 3376/4885P2RX3 803/4885
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885TYK2 6/4885P2RX3 2203/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 JAK3 2/4885TYK2 50/4885P2RX3 2241/4885
US-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885TYK2 6/4885P2RX3 2203/4885
US-20200040010-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885TYK2 6/4885P2RX3 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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