SCHEMBL21851149

SCHEMBL21851149

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.48
▸ ATM Q13315 3/20 0.48
▸ DYRK1A Q13627 3/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ OPRM1 P35372 3/20 0.35
▸ OPRL1 P41146 3/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 5/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ FECH P22830 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ MYLK3 Q32MK0 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL21851161 0.90 ATM (0.46) PRKDCATMDYRK1AOPRM1OPRL1
SCHEMBL21851019 0.88 ATM (0.45) PRKDCATMDYRK1AWNT1OPRM1
SCHEMBL23615865 0.84 ATM (0.44) PRKDCATMPIK3CAMTOR
SCHEMBL21851071 0.84 PRKDC (0.42) PRKDCATMOPRM1OPRL1OPRK1
SCHEMBL21851056 0.84 ATM (0.46) PRKDCATMDYRK1AGSK3BPIK3CA
SCHEMBL21851066 0.84 ATM (0.51) PRKDCATMPIK3CAMTOR
SCHEMBL21851154 0.84 ATM (0.59) PRKDCATMPIK3CAMTORPIK3CD
SCHEMBL21851096 0.84 ATM (0.44) PRKDCATMOPRM1OPRL1OPRK1
SCHEMBL21851073 0.84 ATM (0.44) PRKDCATMDYRK1AGSK3BPIK3CA
SCHEMBL24772413 0.83 ATM (0.57) PRKDCATMPIK3CAMTORPIK3CD

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 1/4885DYRK1A 1088/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 PRKDC 227/4885ATM 1/4885DYRK1A 1088/4885

“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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