SCHEMBL18260419

SCHEMBL18260419

CC(C)(C)OC(=O)CC(O)c1c(NC(=O)C(C)(C)C)cc(Cl)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ STK17B O94768 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL18263259 0.95 CYP2D6 (0.34) CYP2D6GAA
SCHEMBL5375594 0.74 KMT2A (0.34) CYP2D6KDM4EALDH1A1GAASTK17B
SCHEMBL679504 0.74 FPR2 (0.36) CYP2D6ALDH1A1ATRMEN1KMT2A
SCHEMBL31145987 0.70 ATR (0.37) ATRKMT2A
SCHEMBL18260522 0.70 KDM4E (0.39) KDM4ESMN1; SMN2MITFALDH1A1HPGD
SCHEMBL29565434 0.70 KDM4E (0.39) KDM4ESMN1; SMN2MITFALDH1A1HPGD
SCHEMBL16856891 0.68 KDM4E (0.38) KDM4ESMN1; SMN2MITFALDH1A1HPGD
SCHEMBL29565827 0.68 KDM4E (0.38) KDM4ESMN1; SMN2MITFALDH1A1HPGD
SCHEMBL17980670 0.66 L3MBTL1 (0.50) CYP2D6KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL8770893 0.66 APP (0.39) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358931-B2 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 as a JAK kinase inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2025-07-15 — — US disclosed
US-20240132520-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-04-25 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — 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
CN-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — CN 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
CN-111362975-A Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2020-07-03 — — CN disclosed
CN-107667108-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2020-05-12 — — CN disclosed
US-20200040010-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-06 — — 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-20180354974-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-12-13 — — US 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
EP-3303348-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2018-04-11 — — 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 (11 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-12358931-B2 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 as a JAK kinase inhibitor JAK1, JAK3, JAK2 CYP2D6 1494/4885KDM4E 272/4885SMN1; SMN2 4137/4885
US-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885
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 CYP2D6 1357/4885KDM4E 610/4885SMN1; SMN2 3194/4885
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 CYP2D6 1525/4885KDM4E 677/4885SMN1; SMN2 3315/4885
US-20180354974-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885
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 CYP2D6 1743/4885KDM4E 414/4885SMN1; SMN2 4603/4885
US-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 1040/4885KDM4E 3094/4885SMN1; SMN2 4580/4885
US-20240132520-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885
US-20200040010-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2D6 1126/4885KDM4E 804/4885SMN1; SMN2 3788/4885

“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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