SCHEMBL21493322

SCHEMBL21493322

COc1ccc(Nc2cc(Nc3ncccc3S(C)(=O)=O)c3nc(C)[nH]c3n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.47
JAK1 P23458 4/20 0.47
JAK2 O60674 3/20 0.47
KIT P10721 2/20 0.47
KCNH2 Q12809 2/20 0.47
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21493298 0.88 TYK2 (0.60) TYK2JAK1JAK2KITKCNH2
SCHEMBL21493395 0.87 TYK2 (0.46) TYK2JAK1JAK2KITKCNH2
SCHEMBL21493386 0.86 TYK2 (0.39) TYK2JAK1JAK2KCNH2
SCHEMBL21493372 0.85 TYK2 (0.44) TYK2JAK1JAK2KITKCNH2
SCHEMBL21493306 0.82 MAPT (0.45) TYK2JAK1
SCHEMBL21493389 0.82 TYK2 (0.51) TYK2JAK1JAK2KITKCNH2
SCHEMBL21493402 0.81 TYK2 (0.51) TYK2JAK1JAK2KCNH2
SCHEMBL21493341 0.81 TYK2 (0.41) TYK2JAK1JAK2KITKCNH2
SCHEMBL21493333 0.77 TYK2 (0.51) TYK2JAK1JAK2KITKCNH2
SCHEMBL23849735 0.76 TYK2 (0.57) TYK2JAK1JAK2

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.