SCHEMBL21851173

SCHEMBL21851173

CN1C(=O)C2(CCOCC2)c2c1cnc1cc(F)c(-c3ccc(F)nc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.49
▸ ATM Q13315 17/20 0.43
▸ MTOR P42345 5/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ KCNH2 Q12809 7/20 0.40
▸ ATR Q13535 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL21851186 0.91 PRKDC (0.41) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL21851167 0.87 ATM (0.46) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL21851113 0.86 ATM (0.41) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL21851102 0.83 ATM (0.65) PRKDCATMMTORPIK3CAATR
SCHEMBL21851068 0.82 ATM (0.60) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL24221494 0.81 ATM (0.47) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL21851224 0.81 PRKDC (0.42) PRKDCATMMTORPIK3CA
SCHEMBL26130855 0.77 PRKDC (0.56) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL29970951 0.77 PRKDC (0.56) PRKDCATMMTORPIK3CAKCNH2
SCHEMBL21851056 0.77 ATM (0.46) PRKDCATMMTORPIK3CAKCNH2

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 PRKDC 227/4885ATM 1/4885MTOR 274/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 PRKDC 227/4885ATM 1/4885MTOR 274/4885

“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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