SCHEMBL17207246

SCHEMBL17207246

COc1c(C)cccc1-c1ncn(CC(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.36
CYP1A2 P05177 1/20 0.36
TYK2 P29597 6/20 0.35
TLR8 Q9NR97 1/20 0.35
CTSA P10619 4/20 0.33
JAK1 P23458 2/20 0.33
KCNH2 Q12809 2/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 1/20 0.31
XPO1 O14980 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
SCHEMBL17207244 0.86 TYK2 (0.35) TYK2TLR8CTSAJAK1KCNH2
SCHEMBL17194882 0.83 TLR8 (0.40) TYK2TLR8CTSAJAK1KCNH2
SCHEMBL17194901 0.83 TLR8 (0.38) TYK2TLR8JAK1KCNH2MEN1
SCHEMBL17194928 0.82 TYK2 (0.49) CYP1A2TYK2TLR8CTSAJAK1
SCHEMBL18104708 0.79 TLR8 (0.40) CYP17A1CYP1A2TYK2TLR8CTSA
SCHEMBL17207252 0.76 TLR8 (0.37) CYP17A1CYP1A2TYK2TLR8CTSA
SCHEMBL17194889 0.76 TYK2 (0.45) TYK2JAK1KCNH2
SCHEMBL17194925 0.75 LRRK2 (0.44) TLR8CTSA
SCHEMBL17207230 0.74 ADRA1A (0.43) CYP17A1CYP1A2TYK2TLR8CTSA
SCHEMBL21352428 0.73 HDAC1 (0.39) MEN1KMT2AHDAC1HDAC6HTT

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 CYP17A1 2248/4885CYP1A2 1532/4885TYK2 2/4885

“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.