SCHEMBL22017502

SCHEMBL22017502

CC(C)(C)n1c(=O)[nH]c2ncccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.60
ALDH1A1 P00352 2/20 0.56
LOXL3 P58215 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
AURKA O14965 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DAO P14920 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDO1 P14902 2/20 0.43
GRM4 Q14833 1/20 0.42
NSD2 O96028 1/20 0.41

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
SCHEMBL29407515 1.00 FEN1 (0.60) FEN1ALDH1A1LOXL3LOXL2AURKA
SCHEMBL12372609 0.81 DAO (0.58) FEN1ALDH1A1AURKAPARP1DAO
SCHEMBL1713792 0.79 FEN1 (0.66) FEN1ALDH1A1LOXL3LOXL2AURKA
SCHEMBL22017499 0.76 LMNA (0.39) FEN1ALDH1A1AURKAMAPTKDM4E
SCHEMBL8145246 0.76 FEN1 (1.00) FEN1ALDH1A1LOXL3LOXL2AURKA
SCHEMBL24312097 0.75 ADORA3 (0.47) PARP1MAPTKDM4EDAO
SCHEMBL22017504 0.75 GRM4 (0.40) FEN1ALDH1A1MAPTKDM4EGRM4
SCHEMBL1713392 0.75 FEN1 (0.60) FEN1ALDH1A1MAPTKDM4EPKM
SCHEMBL11865926 0.75 FEN1 (0.60) FEN1ALDH1A1LOXL3LOXL2AURKA
SCHEMBL7650487 0.73 ADORA3 (0.61) FEN1ALDH1A1KDM4EHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969450-B1 QUINAZOLINE-2,4-DIONE DERIVATIVES AS PARP INHIBITORS SUZHOU FOUR HEALTH PHARMACEUTICALS CO LTD (CN) 2023-10-25 EP disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
WO-2020229595-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES AS PARP INHIBITORS MOLECULAR TARGETED RADIOPHARMACEUTICALS HOLDING GMBH (MTR) (DE) 2020-11-19 WO disclosed
WO-2020229595-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES AS PARP INHIBITORS MOLECULAR TARGETED RADIOPHARMACEUTICALS HOLDING GMBH (MTR) (DE) 2020-11-19 WO disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FEN1 4719/4885ALDH1A1 476/4885LOXL3 3090/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FEN1 4719/4885ALDH1A1 476/4885LOXL3 3090/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B FEN1 4828/4885ALDH1A1 838/4885LOXL3 2670/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 FEN1 4719/4885ALDH1A1 476/4885LOXL3 3090/4885

“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.