SCHEMBL21834865

SCHEMBL21834865

O=C1Cc2nc3ccccc3cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
AHR P35869 3/20 0.43
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
TDP2 O95551 1/20 0.41
CMA1 P23946 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14852833 0.77 GLO1 (0.43) PDE3BPDE3AAHRPDK2ALDH1A1
SCHEMBL16268739 0.73 NOX1 (0.45) PDE3BPDE3AAHRPDK2ALDH1A1
SCHEMBL7442913 0.72 CHEK1 (0.51) PDE2APDE3BPDE3AAHRPDK2
SCHEMBL8803451 0.71 ALDH1A1 (0.46) PDE2APDE3BPDE3AALDH1A1MAPT
SCHEMBL30796831 0.71 AHR (0.59) PDE3BPDE3AAHRPDK2TDP2
Acridine SCHEMBL28171509 0.71 ALDH1A1 (0.60) PDE2APDE3BPDE3AALDH1A1MAPT
Hydrochloric Acid SCHEMBL27695757 0.70 ALDH1A1 (0.45) PDE2APDE3BPDE3AALDH1A1MAPT
SCHEMBL5228125 0.69 CASP1 (0.43) PDE2APDE3BPDE3AALDH1A1MAPT
SCHEMBL30466533 0.69 ALDH1A1 (0.42) PDE2APDE3BPDE3AALDH1A1MAPT
SCHEMBL8655272 0.68 AHR (0.44) PDE3BPDE3AAHRPDK2MAPT

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 11 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
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-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
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-12-09 US disclosed
WO-2021197339-A1 CRYSTAL FORM OF QUINOPYRROLIDINE-2-ONE COMPOUND SERVING AS ATM INHIBITOR AND USE THEREOF 南京明德新药研发有限公司 2021-10-07 WO disclosed
EP-3845532-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2021-07-07 EP 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
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 PDE2A 968/4885PDE3B 1620/4885PDE3A 1423/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 PDE2A 968/4885PDE3B 1620/4885PDE3A 1423/4885

“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.