SCHEMBL19274465

SCHEMBL19274465

CC(C)(C)OC(=O)NCc1ncc(Sc2cnc(-c3ccccc3)nc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ ACACB O00763 2/20 0.40
▸ ACACA Q13085 2/20 0.40
▸ CKS1B P61024 2/20 0.40
▸ SKP1 P63208 2/20 0.40
▸ SKP2 Q13309 2/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ LOXL3 P58215 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ GLS O94925 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ GABRA5 P31644 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

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
SCHEMBL19274577 0.89 PDPK1 (0.44) PDPK1ACACBACACACKS1BSKP1
SCHEMBL19274312 0.87 LOXL3 (0.44) PDPK1ACACBACACACKS1BSKP1
SCHEMBL21016724 0.86 HPGDS (0.43) HPGDSPDPK1ACACBACACACKS1B
SCHEMBL19259891 0.85 LOXL2 (0.46) PDPK1ACACBACACACKS1BSKP1
SCHEMBL19260008 0.85 HPGDS (0.44) HPGDSLOXL3LOXL2CCNE2CDK4
SCHEMBL29971303 0.85 LOXL2 (0.45) HPGDSPDPK1ACACBACACACKS1B
SCHEMBL19274612 0.84 LOXL2 (0.46) PDPK1ACACBACACACKS1BSKP1
SCHEMBL28649600 0.84 PDPK1 (0.42) PDPK1ACACBACACACKS1BSKP1
SCHEMBL19274318 0.84 LOXL2 (0.46) PDPK1ACACBACACACKS1BSKP1
SCHEMBL19274309 0.83 LOXL2 (0.45) PDPK1ACACBACACACKS1BSKP1

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 4 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
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 (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-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 HPGDS 1698/4885PDPK1 4487/4885ACACB 3861/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 HPGDS 1698/4885PDPK1 4487/4885ACACB 3861/4885

“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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