SCHEMBL24805243

SCHEMBL24805243

NS(=O)(=O)NCc1cccc(-c2ncnc3[nH]ccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.54
▸ JAK2 O60674 3/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ CHUK O15111 1/20 0.53
▸ JAK3 P52333 7/20 0.52
▸ MELK Q14680 2/20 0.52
▸ BTK Q06187 3/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ RPS6KA3 P51812 3/20 0.46
▸ MERTK Q12866 3/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ MAP2K4 P45985 1/20 0.46
▸ FLT3 P36888 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ DAPK3 O43293 2/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ CSF1R P07333 2/20 0.45

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
SCHEMBL24805255 0.85 IKBKB (0.65) ENPP1JAK2IKBKBCHUKJAK3
SCHEMBL24804945 0.81 JAK2 (0.63) JAK2JAK3MELKBTKJAK1
SCHEMBL24804206 0.79 ENPP1 (0.56) ENPP1JAK2IKBKBCHUKJAK3
SCHEMBL24805930 0.79 JAK3 (0.65) ENPP1JAK2IKBKBCHUKJAK3
SCHEMBL24805935 0.79 CA12 (0.53) JAK2IKBKBCHUKJAK3MELK
SCHEMBL24804174 0.75 JAK3 (0.53) JAK2JAK3MELKBTKJAK1
SCHEMBL13885161 0.74 JAK2 (0.69) JAK2IKBKBCHUKJAK3MELK
SCHEMBL4582666 0.72 JAK2 (0.67) JAK2IKBKBCHUKJAK3MELK
SCHEMBL4582660 0.72 JAK2 (0.67) JAK2IKBKBCHUKJAK3MELK
SCHEMBL15661937 0.72 JAK2 (0.67) JAK2IKBKBCHUKJAK3MELK

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 ENPP1 1/4885JAK2 3603/4885IKBKB 1986/4885

“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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