SCHEMBL21851119

SCHEMBL21851119

CN1C(=O)C2(CCOCC2)c2c1cnc1ccc(-c3cnn(C)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 1/20 0.48
▸ PRKDC P78527 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MET P08581 7/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ PIK3CA P42336 6/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL21851121 0.90 ACVR1 (0.50) ACVR1PRKDCATMMETPIK3CA
SCHEMBL21851167 0.85 ATM (0.46) PRKDCATMPIK3CAPIK3CDPIK3CB
SCHEMBL21494350 0.82 PRKDC (0.41) PRKDCATMIRAK4PIK3CAMTOR
SCHEMBL29970121 0.82 PRKDC (0.41) PRKDCATMIRAK4PIK3CAMTOR
SCHEMBL24089043 0.82 ATM (0.47) PRKDCATMPIK3CAPIK3CDPIK3CB
SCHEMBL21851124 0.81 ATM (0.53) PRKDCATMPIK3CAPIK3CDPIK3CB
SCHEMBL29969246 0.79 PRKDC (0.43) PRKDCATMPIK3CA
SCHEMBL21513491 0.78 ATM (0.46) ACVR1PRKDCATMMETIRAK4
SCHEMBL21513819 0.78 PRKDC (0.46) ACVR1PRKDCATMPIK3CD
SCHEMBL29968635 0.78 PRKDC (0.46) ACVR1PRKDCATMPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845532-B1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC (CN) 2022-12-21 — — EP disclosed
US-11230549-B2 Quinolino-pyrrolidin-2-one derivative and application thereof MEDSHINE DISCOVERY INC. (CN) 2022-01-25 — — US disclosed
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-12-09 — — US disclosed
EP-3845532-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2021-07-07 — — EP disclosed
WO-2020063855-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-04-02 — — WO 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 (2 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-11230549-B2 Quinolino-pyrrolidin-2-one derivative and application thereof ATM, CHEK2, CHEK1 ACVR1 3407/4885PRKDC 227/4885ATM 1/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 ACVR1 3407/4885PRKDC 227/4885ATM 1/4885

“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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