SCHEMBL24804179

SCHEMBL24804179

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.53
▸ TARS1 P26639 1/20 0.51
▸ NR1H2 P55055 1/20 0.50
▸ JAK3 P52333 13/20 0.48
▸ JAK1 P23458 12/20 0.47
▸ JAK2 O60674 8/20 0.45
▸ TYK2 P29597 8/20 0.45
▸ MELK Q14680 1/20 0.43
▸ AKT2 P31751 1/20 0.42
▸ BMX P51813 1/20 0.42

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 0.82 TARS1 (0.66) TARS1JAK3JAK1JAK2TYK2
SCHEMBL24804969 0.82 TARS1 (0.66) TARS1JAK3JAK1JAK2TYK2
SCHEMBL15778686 0.80 ESR2 (0.54) ESR2NR1H2JAK1JAK2
SCHEMBL21593208 0.80 NR1H2 (0.56) ESR2TARS1NR1H2JAK3JAK1
SCHEMBL16245336 0.79 JAK3 (0.61) JAK3JAK2
SCHEMBL31662706 0.77 ESR2 (0.53) ESR2NR1H2JAK1
SCHEMBL30595975 0.77 JAK1 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL4006126 0.77 JAK1 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL20775936 0.77 NR1H2 (0.52) ESR2NR1H2
SCHEMBL30401624 0.77 NR1H2 (0.52) ESR2NR1H2

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 ESR2 4350/4885TARS1 330/4885NR1H2 4612/4885

“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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