SCHEMBL22766313

SCHEMBL22766313

Sc1cc2c(s1)CNCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.43
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4709086 0.76 PNMT (0.72) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL1494741 0.76 PNMT (0.43) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL29356870 0.76 PNMT (0.47) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL17277717 0.76 PNMT (0.44) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL12665934 0.76 PNMT (0.47) PNMTCD44MAOBADRA2AADRA2B
Bromide SCHEMBL1428094 0.74 PNMT (0.46) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL28861050 0.73 PNMT (0.44) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL23460842 0.72 PNMT (0.40) PNMTCD44MAOBASIC3PARP1
SCHEMBL22502985 0.72 PNMT (0.43) PNMTCD44MAOBPARP1PARP2
SCHEMBL30154061 0.72 PNMT (0.75) PNMTCD44MAOBADRA2AADRA2B

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-20220289739-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-09-15 US disclosed
US-20200385382-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-12-10 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-20200385382-A1 6-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 PNMT 1753/4885CD44 4073/4885MAOB 589/4885
US-20220289739-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS TLR7, TLR1, TLR9 PNMT 4196/4885CD44 4324/4885MAOB 1343/4885

“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.