SCHEMBL23768366

SCHEMBL23768366

Cc1ccc(NC(C)C)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
APLNR P35414 1/20 0.34
SORT1 Q99523 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PDE10A Q9Y233 2/20 0.33
EDNRA P25101 1/20 0.33
NR4A2 P43354 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31

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
SCHEMBL10212536 0.76 HCAR3 (0.38) TRPM8HCAR3GAAMAPTTDP1
SCHEMBL12411080 0.76 GAA (0.54) TRPM8HCAR3KDM4EGAAMAPT
SCHEMBL12411082 0.74 LMNA (0.42) TRPM8HCAR3KDM4EGAAMAPT
SCHEMBL21555167 0.74 ENPP2 (0.52) KDM4EGAAMAPTPDE1CALDH1A1
SCHEMBL2629424 0.73
SCHEMBL21555155 0.73 GPR55 (0.39)
SCHEMBL23768158 0.72 NPC1 (0.40) TRPM8HCAR3GAATDP1GABRA1
SCHEMBL21555162 0.72 PSEN1 (0.34) SORT1
SCHEMBL3584566 0.71
SCHEMBL18053167 0.71 HTT (0.37) TRPM8HCAR3KDM4EGAAMAPT

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-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 TRPM8 3075/4885HCAR3 1016/4885KDM4E 1208/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 TRPM8 3075/4885HCAR3 1016/4885KDM4E 1208/4885

“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.