SCHEMBL8830006

SCHEMBL8830006

Cc1ccc2nc(-c3ccccc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.57
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
NCK1 P16333 1/20 0.52
BACE1 P56817 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29692924 1.00 PSMB5 (0.57) PSMB5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL10147842 0.89 CYP1A2 (0.59) PSMB5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL3296780 0.87 CYP1A2 (0.53) PSMB5CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL398766 0.87 KDM4E (0.55) PSMB5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL23247265 0.84 CYP1A2 (0.68) PSMB5CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL14508588 0.84 PSMB5 (0.44) PSMB5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL19037226 0.83 PSMB5 (0.46) PSMB5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL4128022 0.83 CYP1A2 (0.57) PSMB5CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL14759469 0.82 NPC1 (0.59) CYP1A2ALDH1A1KDM4EMAPTMEN1
SCHEMBL11811065 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471009-A Preparation method and application of 2-arylquinoline derivative 安阳师范学院 2020-07-31 CN claimed
CN-117229204-A Method for preparing quinoline derivative by catalytic conversion of lignin by rhodium-based catalyst 中国科学院大连化学物理研究所 2023-12-15 CN disclosed
CN-112587713-B Novel sanitary towel with antibacterial function and production process thereof 周旭龙 2022-09-13 CN disclosed
CN-112587713-A Novel sanitary towel with antibacterial function and production process thereof 周旭龙 2021-04-02 CN disclosed
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-23 US disclosed
CN-111471009-A Preparation method and application of 2-arylquinoline derivative 安阳师范学院 2020-07-31 CN disclosed
CN-107400084-B Method for synthesizing quinoline derivative 南京理工大学 2020-04-10 CN disclosed
US-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-04 US disclosed
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-03-14 US disclosed
CN-107400084-A A kind of method of synthesis of quinoline derivatives 南京理工大学 2017-11-28 CN disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0452712-B1 4-Quinolyl-dihydropyridines, process for their prepatation and their use in medicaments BAYER AG (DE) 1995-04-19 EP disclosed
EP-0452712-A1 4-Quinolyl-dihydropyridines, process for their prepatation and their use in medicaments BAYER AG (DE) 1991-10-23 EP disclosed
US-3973022-A Quinolineacetic acid compositions CIBA-GEIGY CORPORATION (US) 1976-08-03 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 (3 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-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS ACAT1, ACACA, ACAT2 PSMB5 4813/4885CYP1A2 857/4885ALDH1A1 42/4885
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands ACAT1, ACACA, ACAT2 PSMB5 4813/4885CYP1A2 857/4885ALDH1A1 42/4885
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS FOXO1, NAA15, FOXK1 PSMB5 4831/4885CYP1A2 422/4885ALDH1A1 16/4885

“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.