SCHEMBL25208043

SCHEMBL25208043

CCCn1c(S)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
TSHR P16473 6/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
MAPK1 P28482 2/20 0.54
RXFP1 Q9HBX9 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NR2F2 P24468 1/20 0.50
HSD17B10 Q99714 1/20 0.50
JAK2 O60674 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL18479758 0.89 TSHR (0.64) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25239535 0.89 TSHR (0.67) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL9123418 0.83 CYP2C19 (0.59) TSHRCYP2C19MAPK1RXFP1MEN1
SCHEMBL9240498 0.81 ALDH1A1 (0.56) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25219229 0.81 CYP1A2 (0.83) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25241636 0.80 ADORA2B (0.52) USP2TSHRCYP1A2CYP2C19RECQL
Dimethylamine SCHEMBL11392679 0.78 USP2 (0.58) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL13652736 0.78 USP2 (0.58) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25230749 0.78 HSD17B10 (0.60) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL21602569 0.77 MLKL (0.68) USP2TSHRCYP1A2CYP2C19RECQL

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 USP2 2320/4885TSHR 4699/4885CYP1A2 4629/4885

“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.