SCHEMBL21784684

SCHEMBL21784684

COc1c(-c2sc(C)nc2C)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 9/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDK4 P11802 2/20 0.37
CDK2 P24941 2/20 0.37
OPRM1 P35372 1/20 0.37
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
AURKB Q96GD4 1/20 0.37
PSEN1 P49768 1/20 0.35

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
SCHEMBL17194929 0.82 TRPV4 (0.40) COMTTRPV4PDE2APDE10APDE5A
SCHEMBL17198849 0.77 OPRM1 (0.44) COMTTRPV4PDE2APDE10APDE5A
SCHEMBL18415100 0.77 COMT (0.39) COMTTRPV4PDE2APDE10APDE5A
SCHEMBL21784449 0.75 TYK2 (0.41) PDE10AGAA
SCHEMBL18415086 0.72 ALDH1A1 (0.43) PDE10AMEN1KMT2ANPC1GAA
SCHEMBL327336 0.72 APP (0.50) OPRM1PSEN1PSEN2APH1BNCSTN
SCHEMBL21784543 0.71 TEK (0.32) POLB
SCHEMBL21784452 0.71 MGAM (0.37) GAA
SCHEMBL18415084 0.71 BRD4 (0.43) MEN1KMT2APOLB
SCHEMBL20150109 0.70 TSHR (0.38) MEN1KMT2APOLB

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 COMT 4655/4885TRPV4 4369/4885PDE2A 1800/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 COMT 4655/4885TRPV4 4369/4885PDE2A 1800/4885

“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.