SCHEMBL25201811

SCHEMBL25201811

Cn1c(=O)c2c(nc(Sc3ccccc3)n2C)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 1.00
MAOB P27338 8/20 1.00
RXFP1 Q9HBX9 3/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 1/20 0.59
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL25206902 0.79 MAOB (1.00) MAOAMAOBRXFP1NPSR1POLB
SCHEMBL25204131 0.78 MAOB (1.00) MAOAMAOBRXFP1KMT2AMEN1
SCHEMBL21602599 0.76 MAPK1 (0.68) MAOAMAOBRXFP1KMT2ANPSR1
SCHEMBL12604457 0.75 ALDH1A1 (0.63) MAOAMAOBKMT2ANPSR1POLB
SCHEMBL5113630 0.74 TP53 (0.75) MAOAMAOBRXFP1KMT2AMAPK1
SCHEMBL4146728 0.74 ADORA2B (1.00) MAOAMAOBRXFP1ADORA2AADORA2B
SCHEMBL25202045 0.72 POLB (0.74) MAOAMAOBPOLBHTT
SCHEMBL25210141 0.72 POLB (1.00) MAOAMAOBRXFP1KMT2APOLB
SCHEMBL25208557 0.72 GAA (0.81) MAOAMAOBRXFP1POLBPKM
SCHEMBL25226367 0.72 POLB (0.74) MAOAMAOBRXFP1KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 MAOA 4584/4885MAOB 4517/4885RXFP1 1924/4885

“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.