SCHEMBL21851043

SCHEMBL21851043

CC(C)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 20/20 0.58
▸ ATR Q13535 4/20 0.58
▸ MTOR P42345 13/20 0.51
▸ PRKDC P78527 1/20 0.50
▸ PIK3CA P42336 7/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL21851164 0.91 ATM (0.54) ATMATRMTORPIK3CAKCNH2
SCHEMBL21851127 0.89 ATM (0.57) ATMATRMTORPIK3CAKCNH2
SCHEMBL21851097 0.88 ATM (0.56) ATMATRMTORPIK3CAKCNH2
SCHEMBL21851215 0.88 ATM (0.53) ATMATRMTORPRKDCPIK3CA
SCHEMBL21851002 0.88 ATM (0.56) ATMATRMTORPRKDCPIK3CA
SCHEMBL23615854 0.88 ATM (0.57) ATMATRMTORPIK3CAKCNH2
SCHEMBL21851066 0.88 ATM (0.51) ATMATRMTORPRKDCPIK3CA
SCHEMBL21851063 0.87 ATM (0.51) ATMATRMTORPRKDCPIK3CA
SCHEMBL29968726 0.85 ATM (0.53) ATMATRMTORPRKDCPIK3CA
SCHEMBL24221452 0.84 ATM (0.52) ATMATRMTORPRKDCPIK3CA

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 1/4885ATR 5/4885MTOR 274/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 ATM 1/4885ATR 5/4885MTOR 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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