SCHEMBL24559342

SCHEMBL24559342

Cn1c(=S)c2c(ncn2CCCNC(=O)OC(C)(C)C)n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PDPK1 O15530 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL21766233 0.85 MAPK1 (0.58) ADORA2BMAPK1RXFP1TP53SMN1; SMN2
SCHEMBL24559262 0.84 RXFP1 (0.50) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA
SCHEMBL24559409 0.79 RXFP1 (0.45) ADORA2BMAPK1RXFP1TP53SMN1; SMN2
SCHEMBL24559298 0.76 ADORA2B (0.61) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA
SCHEMBL24559134 0.76 RXFP1 (0.56) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA
SCHEMBL24559323 0.76 RXFP1 (0.70) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA
SCHEMBL24559469 0.76 THRB (0.56) ADORA2BMAPK1RXFP1TP53SMN1; SMN2
SCHEMBL24559089 0.74 ADORA2B (0.61) ADORA2BMAPK1RXFP1LMNAALDH1A1
SCHEMBL24559396 0.74 ADORA2B (0.73) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA
SCHEMBL22521931 0.73 TNF (0.60) ADORA2BMAPK1RXFP1SMN1; SMN2LMNA

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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 — — 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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG ADORA2B 2231/4885MAPK1 2790/4885RXFP1 2773/4885

“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.

Send feedback