SCHEMBL21493389

SCHEMBL21493389

Cc1ccnc(Nc2cc(Nc3ncccc3S(C)(=O)=O)c3nc(C)[nH]c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.51
JAK1 P23458 3/20 0.45
JAK2 O60674 2/20 0.45
KCNH2 Q12809 2/20 0.45
KARS1 Q15046 1/20 0.37
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
IGF1R P08069 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL21493341 0.90 TYK2 (0.41) TYK2JAK1JAK2KCNH2KIT
SCHEMBL23849696 0.88 TYK2 (0.65) TYK2JAK1JAK2KCNH2KIT
SCHEMBL21493306 0.86 MAPT (0.45) TYK2JAK1
SCHEMBL21493372 0.85 TYK2 (0.44) TYK2JAK1JAK2KCNH2KIT
SCHEMBL21493395 0.84 TYK2 (0.46) TYK2JAK1JAK2KCNH2KIT
SCHEMBL21493386 0.83 TYK2 (0.39) TYK2JAK1JAK2KCNH2
SCHEMBL21493322 0.82 TYK2 (0.47) TYK2JAK1JAK2KCNH2KIT
SCHEMBL23849735 0.80 TYK2 (0.57) TYK2JAK1JAK2
SCHEMBL21493374 0.78 TYK2 (0.53) TYK2JAK1JAK2KCNH2KIT
SCHEMBL21493402 0.78 TYK2 (0.51) TYK2JAK1JAK2KCNH2CDK9

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
EP-3532473-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2021-09-29 EP disclosed
US-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-22 US disclosed
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-10-24 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-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses TYK2, IL2, IL23R TYK2 1/4885JAK1 8/4885JAK2 9/4885
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNG TYK2 1/4885JAK1 9/4885JAK2 12/4885

“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.