SCHEMBL24804969

SCHEMBL24804969

CC(C)(C)OC(=O)NS(=O)(=O)N1CCc2cc(-c3ncnc4[nH]ccc34)ccc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TARS1 P26639 2/20 0.66
▸ JAK3 P52333 13/20 0.41
▸ JAK1 P23458 11/20 0.41
▸ JAK2 O60674 11/20 0.41
▸ TYK2 P29597 9/20 0.41
▸ MELK Q14680 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ BTK Q06187 4/20 0.39
▸ BMX P51813 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL30151465 1.00 TARS1 (0.66) TARS1JAK3JAK1JAK2TYK2
SCHEMBL24804179 0.82 ESR2 (0.53) TARS1JAK3JAK1JAK2TYK2
SCHEMBL24804176 0.81 TARS1 (0.62) TARS1JAK3JAK1JAK2TYK2
SCHEMBL30446213 0.80 TARS1 (0.50) TARS1ENPP1
SCHEMBL20782528 0.80 TARS1 (0.50) TARS1ENPP1
SCHEMBL30336748 0.79 ENPP1 (0.47) ROCK1ENPP1
SCHEMBL25546555 0.79 ENPP1 (0.47) ROCK1ENPP1
SCHEMBL24000619 0.77 ENPP1 (0.42) TARS1ROCK1ENPP1
SCHEMBL30088818 0.77 ENPP1 (0.42) TARS1ROCK1ENPP1
SCHEMBL30337022 0.77 ENPP1 (0.42) TARS1ROCK1ENPP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 — — 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 (1 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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF ENPP1, ENPP3, PPA1 TARS1 330/4885JAK3 4097/4885JAK1 2196/4885

“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.

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