SCHEMBL21851056

SCHEMBL21851056

CN1C(=O)C2(CCC(F)(F)CC2)c2c1cnc1ccc(-c3ccc(F)nc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 10/20 0.46
▸ PRKDC P78527 3/20 0.46
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ACVR1 Q04771 1/20 0.32
▸ ATR Q13535 3/20 0.32
▸ GRIA2 P42262 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL21851167 0.89 ATM (0.46) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL23615865 0.88 ATM (0.44) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851161 0.86 ATM (0.46) ATMPRKDCGSK3BDYRK1AMTOR
SCHEMBL21851073 0.85 ATM (0.44) ATMPRKDCGSK3BDYRK1APIK3CA
SCHEMBL24221491 0.85 ATM (0.45) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851096 0.85 ATM (0.44) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851019 0.85 ATM (0.45) ATMPRKDCGSK3BDYRK1AMTOR
SCHEMBL21851149 0.84 PRKDC (0.48) ATMPRKDCGSK3BDYRK1APIK3CA
SCHEMBL29969221 0.84 ATM (0.47) ATMPRKDCDYRK1APIK3CAMTOR
SCHEMBL21851207 0.83 ATM (0.47) ATMPRKDCGSK3BDYRK1APIK3CA

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 ATM 1/4885PRKDC 227/4885GSK3B 514/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 ATM 1/4885PRKDC 227/4885GSK3B 514/4885

“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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