SCHEMBL25211015

SCHEMBL25211015

CSc1nc2c(c(=O)n(C)c(=O)n2CC2CC2)n1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.56
PDE4A P27815 8/20 0.56
PDE4B Q07343 8/20 0.56
PDE4C Q08493 8/20 0.56
PDE4D Q08499 8/20 0.56
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
RXFP1 Q9HBX9 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL25203540 0.89 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25204725 0.81 RXFP1 (0.54) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL25222886 0.81 ADORA2A (0.54) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL21602439 0.77 PDE4D (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25208007 0.77 ADORA2B (0.56) MAOAMAOBRXFP1KMT2AMEN1
SCHEMBL21602599 0.76 MAPK1 (0.68) MAOAMAOBRXFP1KMT2AMEN1
SCHEMBL25233191 0.74 HPGD (0.67) MAOAMAOBKMT2AMEN1MAPK1
SCHEMBL25227679 0.73 RXFP1 (0.54) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL25205156 0.73 PKM (0.57) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL21602516 0.72 RXFP1 (0.65) MAOAMAOBRXFP1KMT2AMEN1

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 PDE5A 2124/4885PDE4A 2095/4885PDE4B 1621/4885

“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.