SCHEMBL21784449

SCHEMBL21784449

COc1c(-c2cnc(C)s2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
LIMK1 P53667 1/20 0.37
POLQ O75417 1/20 0.35
EGFR P00533 3/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AOC3 Q16853 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32

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
SCHEMBL15698691 0.83 TYK2 (0.43) TYK2NPSR1LIMK1EGFRTSHR
SCHEMBL21091598 0.81 LIMK1 (0.37) TYK2NPSR1LIMK1TSHRAOC3
SCHEMBL21784452 0.78 MGAM (0.37) POLQMGAMGAASIMGAM2
SCHEMBL18415020 0.78 FEN1 (0.42) TYK2NPSR1LIMK1EGFRPDE10A
SCHEMBL15698667 0.78 TYK2 (0.42) TYK2NPSR1LIMK1EGFRPDE10A
SCHEMBL20150108 0.77 AAK1 (0.37) LIMK1ALOX15TSHRPDE10A
SCHEMBL21784684 0.75 COMT (0.38) PDE10AGAA
SCHEMBL24497525 0.73 ALOX5AP (0.40) TYK2POLQALOX5APFEN1
SCHEMBL20150120 0.73 TSHR (0.39) TYK2ALOX15TSHRALOX5APFEN1
SCHEMBL24360119 0.73 NPSR1 (0.33) TYK2NPSR1LIMK1AOC3

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 TYK2 3/4885NPSR1 2539/4885LIMK1 1532/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TYK2 3/4885NPSR1 2539/4885LIMK1 1532/4885

“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.