SCHEMBL29970992

SCHEMBL29970992

CSc1cc(Sc2cnc(CNC(=O)OC(C)(C)C)s2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
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
CCNB3 Q8WWL7 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER4 P35408 1/20 0.35
VEGFA P15692 2/20 0.34
FLT1 P17948 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
EGLN3 Q9H6Z9 2/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL19274858 1.00 PDPK1 (0.43) PDPK1LOXL3LOXL2CCNB2CCNE2
SCHEMBL29970667 0.92 PDPK1 (0.43) PDPK1LOXL3LOXL2CCNB2CCNE2
SCHEMBL19274327 0.92 PDPK1 (0.43) PDPK1LOXL3LOXL2CCNB2CCNE2
SCHEMBL19274612 0.92 LOXL2 (0.46) PDPK1LOXL3LOXL2DYRK1AGLS
SCHEMBL19274861 0.90 PDPK1 (0.42) PDPK1LOXL3LOXL2CCNB2CCNE2
SCHEMBL19274580 0.88 PDPK1 (0.44) PDPK1LOXL3LOXL2CCNB2CCNE2
SCHEMBL19259640 0.87 LOXL2 (0.44) LOXL3LOXL2CCNE1CDK2MAPT
SCHEMBL29971488 0.86 PDPK1 (0.40) PDPK1LOXL3LOXL2EGLN1DYRK1A
SCHEMBL19274647 0.86 PDPK1 (0.40) PDPK1LOXL3LOXL2EGLN1DYRK1A
SCHEMBL19274478 0.85 PDPK1 (0.42) PDPK1CCNB2CCNE2CDK1CDK4

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 2 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

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 PDPK1 4487/4885LOXL3 2/4885LOXL2 3/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885LOXL3 2/4885LOXL2 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.