SCHEMBL24804183

SCHEMBL24804183

CC(NS(N)(=O)=O)C1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.61
▸ AKT2 P31751 4/20 0.59
▸ GSK3B P49841 3/20 0.59
▸ KIT P10721 1/20 0.59
▸ JAK2 O60674 9/20 0.58
▸ ENPP1 P22413 1/20 0.56
▸ JAK3 P52333 11/20 0.56
▸ JAK1 P23458 6/20 0.55
▸ TYK2 P29597 5/20 0.55
▸ HTR2C P28335 1/20 0.52

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
SCHEMBL24804985 0.82 LCK (0.71) LCKAKT2GSK3BKITJAK2
SCHEMBL24805927 0.81 AKT2 (0.67) LCKAKT2GSK3BKITJAK2
SCHEMBL24804186 0.81 LCK (0.49) LCKAKT2GSK3BKITJAK2
SCHEMBL19011936 0.79 JAK3 (0.70) LCKAKT2GSK3BKITJAK2
SCHEMBL24804170 0.78 AKT2 (0.67) LCKAKT2GSK3BKITJAK2
SCHEMBL24804209 0.77 LCK (0.55) LCKAKT2GSK3BKITJAK2
SCHEMBL24804219 0.77 LCK (0.67) LCKAKT2GSK3BKITJAK2
SCHEMBL2019457 0.77 LCK (1.00) LCKAKT2GSK3BKITJAK2
SCHEMBL24804140 0.76 AKT2 (0.65) LCKAKT2GSK3BKITJAK2
SCHEMBL1003408 0.75 AKT2 (1.00) LCKAKT2GSK3BKITJAK2

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 LCK 2213/4885AKT2 1623/4885GSK3B 942/4885

“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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