SCHEMBL25233191

SCHEMBL25233191

CSc1nc2c(c(=O)n(C)c(=O)n2Cc2ccccc2)n1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.67
MAOA P21397 4/20 0.58
MAOB P27338 4/20 0.58
BRAF P15056 4/20 0.57
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PIK3CG P48736 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL25240049 0.90 BRAF (0.66) HPGDMAOAMAOBBRAFMAPT
SCHEMBL25226786 0.81 MAOA (0.62) MAOAMAOBBRAFMAPTALDH1A1
SCHEMBL555112 0.80 HPGD (0.68) HPGDBRAFMAPTALDH1A1HTT
SCHEMBL25222886 0.79 ADORA2A (0.54) MAPK1MEN1KMT2A
SCHEMBL25204725 0.79 RXFP1 (0.54) MAOAMAOBHTTLMNAMAPK1
SCHEMBL20488041 0.79 HPGD (0.66) HPGDBRAFMAPTALDH1A1HTT
SCHEMBL16028263 0.76 HPGD (0.62) HPGDMAPTALDH1A1HTTNPSR1
SCHEMBL23974590 0.75 ADORA2A (0.63) HPGDALDH1A1ADORA3SMN1; SMN2LMNA
SCHEMBL25208007 0.75 ADORA2B (0.56) MAOAMAOBADORA3MAPK1MEN1
SCHEMBL555827 0.74 HTT (0.62) HPGDMAPTALDH1A1HTTNPSR1

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 HPGD 2642/4885MAOA 4584/4885MAOB 4517/4885

“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.