SCHEMBL17207244

SCHEMBL17207244

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.35
TLR8 Q9NR97 1/20 0.34
P2RX7 Q99572 1/20 0.34
JAK2 O60674 2/20 0.33
CTSA P10619 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK1 P23458 2/20 0.32
KCNH2 Q12809 1/20 0.32
PTPN1 P18031 1/20 0.32
ACSS2 Q9NR19 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
SCHEMBL17207246 0.86 CYP17A1 (0.36) TYK2TLR8CTSAHDAC1HDAC6
SCHEMBL17194882 0.82 TLR8 (0.40) TYK2TLR8P2RX7JAK2CTSA
SCHEMBL17194916 0.80 TLR8 (0.39) TYK2TLR8P2RX7CTSAALDH1A1
SCHEMBL17194901 0.79 TLR8 (0.38) TYK2TLR8JAK2JAK1KCNH2
SCHEMBL17194928 0.78 TYK2 (0.49) TYK2TLR8CTSAHDAC1HDAC6
SCHEMBL17194931 0.76 FFAR1 (0.48) TYK2JAK2JAK1
SCHEMBL17194889 0.75 TYK2 (0.45) TYK2JAK2JAK1KCNH2
SCHEMBL11996746 0.71 RAB9A (0.36) HDAC1HDAC6ALDH1A1
SCHEMBL30779747 0.69 TYK2 (0.34) TYK2TLR8JAK2HDAC1HDAC6
SCHEMBL26931496 0.69 TYK2 (0.34) TYK2TLR8JAK2HDAC1HDAC6

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-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 TYK2 2/4885TLR8 61/4885P2RX7 2074/4885

“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.