SCHEMBL19198017

SCHEMBL19198017

Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OCC(C)C)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 1.00
▸ JAK3 P52333 20/20 1.00
▸ JAK1 P23458 18/20 1.00
▸ JAK2 O60674 14/20 1.00

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
SCHEMBL29565766 1.00 TYK2 (1.00) TYK2JAK3JAK1JAK2
SCHEMBL29707875 1.00 TYK2 (1.00) TYK2JAK3JAK1JAK2
SCHEMBL18269709 1.00 TYK2 (1.00) TYK2JAK3JAK1JAK2
SCHEMBL30569801 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL21574333 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL18269696 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL19469201 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL21229592 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL28414573 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL29565829 0.88 TYK2 (0.79) TYK2JAK3JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725470-B2 Substituted naphthyridines as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US claimed
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

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-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 TYK2 6/4885JAK3 3/4885JAK1 1/4885
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 2/4885JAK1 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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