SCHEMBL21851114

SCHEMBL21851114

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCOCC2)C(=O)N4C)cn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.63
▸ PIK3CA P42336 14/20 0.63
▸ MTOR P42345 13/20 0.63
▸ ATR Q13535 3/20 0.63
▸ PRKDC P78527 4/20 0.58
▸ PIK3CD O00329 1/20 0.56
▸ PIK3CB P42338 1/20 0.56
▸ PIK3CG P48736 1/20 0.56
▸ KCNH2 Q12809 1/20 0.52

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
SCHEMBL21513239 0.94 ATM (0.61) ATMPIK3CAMTORATRPRKDC
SCHEMBL29968606 0.94 ATM (0.61) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851110 0.92 ATM (0.63) ATMPIK3CAMTORATRPRKDC
SCHEMBL29969843 0.92 ATM (0.57) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851105 0.91 ATM (0.58) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851060 0.90 ATM (0.52) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851103 0.90 ATM (0.58) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851057 0.90 ATM (0.60) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851163 0.89 ATM (0.57) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851183 0.89 ATM (0.57) ATMPIK3CAMTORATRPRKDC

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 1/4885PIK3CA 870/4885MTOR 274/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 ATM 1/4885PIK3CA 870/4885MTOR 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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