SCHEMBL19274580

SCHEMBL19274580

Cc1ccc(-c2cccc(Sc3cnc(CNC(=O)OC(C)(C)C)s3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
HDAC1 Q13547 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.38
LOXL3 P58215 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LOX P28300 1/20 0.38
GLS O94925 2/20 0.37
DYRK1A Q13627 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL19274312 0.93 LOXL3 (0.44) PDPK1HDAC1LOXL2LOXL3GLS
SCHEMBL19274858 0.88 PDPK1 (0.43) PDPK1HDAC1LOXL2LOXL3GLS
SCHEMBL29970992 0.88 PDPK1 (0.43) PDPK1HDAC1LOXL2LOXL3GLS
SCHEMBL22559883 0.88 GLS (0.41) PDPK1HDAC1LOXL2LOXL3GLS
SCHEMBL19259800 0.87 LOXL2 (0.44) LOXL2LOXL3MAOAMAOBLOX
SCHEMBL19274598 0.85 IRAK1 (0.46) PDPK1LOXL2DYRK1A
SCHEMBL29970064 0.85 IRAK1 (0.46) PDPK1LOXL2DYRK1A
SCHEMBL19274577 0.84 PDPK1 (0.44) PDPK1LOXL2LOXL3GLSCCNB2
SCHEMBL19274478 0.84 PDPK1 (0.42) PDPK1GLSDYRK1ACCNB2CCNE2
SCHEMBL19274625 0.83 PDPK1 (0.44) PDPK1GLSDYRK1APOLBKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2023-03-21 US disclosed
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-24 US disclosed
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed
US-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-05-23 US disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 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 (3 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-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885HDAC1 1718/4885LOXL2 3/4885
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885HDAC1 1718/4885LOXL2 3/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885HDAC1 1718/4885LOXL2 3/4885

“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.