SCHEMBL2129974

SCHEMBL2129974

CC(C(N)=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2715770 1.00 AAK1 (0.42) AAK1KDM4ESMN1; SMN2PKMALDH1A1
Water SCHEMBL29947214 0.98 AAK1 (0.41) AAK1KDM4ESMN1; SMN2PKMALDH1A1
Water SCHEMBL29902298 0.98 AAK1 (0.41) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL29760421 0.92 SMN1; SMN2 (0.41) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL16026595 0.84 MEN1 (0.37) KDM4EALDH1A1KMT2ALMNARAB9A
SCHEMBL4632498 0.80 AAK1 (0.39) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL12979662 0.80 SMN1; SMN2 (0.46) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL19316681 0.80 SMN1; SMN2 (0.46) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL8902371 0.80 SMN1; SMN2 (0.42) AAK1KDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL3714585 0.80 ALDH1A1 (0.50) AAK1SMN1; SMN2PKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN claimed
EP-4182308-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP claimed
CN-115335359-A Ocular targeting compounds and their use in treating ocular diseases 比奥菲蒂斯公司 2022-11-11 CN claimed
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 EP claimed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN claimed
CN-114901665-A Use of triazolotriazine derivatives for the treatment of diseases 浙江春禾医药科技有限公司 2022-08-12 CN claimed
WO-2022013307-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-01-20 WO claimed
EP-2958910-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS Domainex Limited (GB) 2015-12-30 EP claimed
WO-2014128486-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2014-08-28 WO claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
EP-1287001-B1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-29 EP claimed
CN-114901665-B Use of triazolotriazine derivatives in the treatment of diseases 浙江春禾医药科技有限公司 2025-02-18 CN disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 US disclosed
CN-107417644-B Preparation method of acrylamide compound 深圳有为技术控股集团有限公司 2023-09-12 CN disclosed
CN-115335359-A Ocular targeting compounds and their use in treating ocular diseases 比奥菲蒂斯公司 2022-11-11 CN disclosed
US-4658031-A Synthesis of 2-substituted-5-methyl-pyridines and intermediates therefor ICI AMERICAS INC. (US) 1987-04-14 US disclosed
US-4584380-A Synthesis of 2-substituted-5-methyl-pyridines and intermediates therefor ICI AMERICAS INC. (US) 1986-04-22 US disclosed
US-4473696-A Synthesis of 2-substituted-5-methyl-pyridines ICI AMERICAS INC. (US) 1984-09-25 US disclosed
EP-0108483-A2 Synthesis of 2-substituted-5-methyl-pyridines and intermediates therefor ICI AMERICAS INC. (US) 1984-05-16 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 (1 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-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 AAK1 457/4885KDM4E 1701/4885SMN1; SMN2 3692/4885

“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.