SCHEMBL17207252

SCHEMBL17207252

COc1c(C)cccc1-c1nc(C)n(CC(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
HTT P42858 1/20 0.33
CTSA P10619 1/20 0.33
PDE5A O76074 1/20 0.32
CYP17A1 P05093 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.31
P2RX7 Q99572 1/20 0.31
TYK2 P29597 2/20 0.31
THRB P10828 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25286956 0.89 SCN9A (0.34) TLR8PDE5ACYP17A1CYP1A2TYK2
SCHEMBL17207234 0.83 TLR8 (0.40) TLR8CTSAMAPTP2RX7TYK2
SCHEMBL17207253 0.82 TLR8 (0.37) TLR8HTTCTSAP2RX7TYK2
SCHEMBL17207246 0.76 CYP17A1 (0.36) TLR8HTTCTSACYP17A1CYP1A2
SCHEMBL17207230 0.76 ADRA1A (0.43) TLR8CTSACYP17A1CYP1A2P2RX7
SCHEMBL17194887 0.76 TYK2 (0.44) TLR8MAPTP2RX7TYK2THRB
SCHEMBL25286958 0.75 TYK2 (0.49) TYK2
SCHEMBL18104708 0.74 TLR8 (0.40) TLR8HTTCTSACYP17A1CYP1A2
SCHEMBL17194925 0.70 LRRK2 (0.44) TLR8CTSA
SCHEMBL18930029 0.67 TLR8 (0.34) TLR8PDE5ATYK2

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-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-29 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 (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-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, TYK2, IFNAR1 TLR8 61/4885HTT 4162/4885CTSA 3215/4885

“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.