SCHEMBL16856891

SCHEMBL16856891

CC(C)(C)C(=O)Nc1cc(Cl)nc(Cl)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ ADORA1 P30542 2/20 0.35
▸ S1PR2 O95136 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL29565827 1.00 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL27167058 0.83 ATR (0.43) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL29565434 0.79 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL18260522 0.79 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL7125030 0.78 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL18383188 0.73 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL14782288 0.72 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL2587336 0.71 S1PR2 (0.62) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL9649 0.71 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MITFHPGD
SCHEMBL3535424 0.70 CETP (0.41) KDM4EALDH1A1SMN1; SMN2TDP1RAB9A

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 22 patents — showing the first 20. 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
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
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 — — US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 — — EP 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 KDM4E 272/4885ALDH1A1 866/4885SMN1; SMN2 4137/4885
US-20160347772-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 KDM4E 804/4885ALDH1A1 3082/4885SMN1; 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 KDM4E 610/4885ALDH1A1 627/4885SMN1; 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 KDM4E 677/4885ALDH1A1 20/4885SMN1; SMN2 3315/4885
US-20180354974-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 KDM4E 804/4885ALDH1A1 3082/4885SMN1; SMN2 3788/4885
US-20170305934-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 KDM4E 804/4885ALDH1A1 3082/4885SMN1; 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 KDM4E 414/4885ALDH1A1 2602/4885SMN1; SMN2 4603/4885
US-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 KDM4E 2873/4885ALDH1A1 640/4885SMN1; SMN2 2885/4885
US-20210179637-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 KDM4E 804/4885ALDH1A1 3082/4885SMN1; SMN2 3788/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS KDM4E 3094/4885ALDH1A1 1158/4885SMN1; SMN2 4580/4885
US-20240132520-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS JAK1, JAK2, JAK3 KDM4E 804/4885ALDH1A1 3082/4885SMN1; 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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