SCHEMBL21784450

SCHEMBL21784450

CCC(C)(C)c1cc(C)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL26362005 0.85 ADORA2A (0.37) BCHEKDM4EGRNSORT1BAZ2B
SCHEMBL21767220 0.84 BCHE (0.35) BCHEKDM4EGRNSORT1BAZ2B
SCHEMBL21784435 0.82 CNR2 (0.37) BCHEKDM4EGRNSORT1BAZ2B
SCHEMBL18415022 0.79 CNR2 (0.41)
SCHEMBL422069 0.79 KDM4E (0.52) BCHEKDM4EGRNSORT1BAZ2B
SCHEMBL26341024 0.77 KDM4E (0.37) BCHEKDM4EGRNSORT1BAZ2B
SCHEMBL14067633 0.76 MAPK13 (0.32) KDM4EGRNSORT1MAPK13MAPK12
SCHEMBL21719697 0.75 CNR2 (0.35) BCHE
SCHEMBL18415064 0.75 BCHE (0.30) BCHE
SCHEMBL18415108 0.75 CNR2 (0.35) BCHE

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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 BCHE 4865/4885KDM4E 2185/4885GRN 4748/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 BCHE 4865/4885KDM4E 2185/4885GRN 4748/4885

“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.