SCHEMBL17596352

SCHEMBL17596352

CCCCCc1cccc2nc3ccccc3nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.51
NQO2 P16083 1/20 0.49
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28719643 0.98 TLR8 (0.50) TLR8NQO2LIPGKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL28910209 0.97 TLR8 (0.49) TLR8NQO2LIPGKCNH2ALDH1A1
SCHEMBL28672379 0.89 ALDH1A1 (0.48) TLR8NQO2KCNH2ALDH1A1GAA
SCHEMBL17289226 0.82 NQO2 (0.44) TLR8NQO2ALDH1A1GAAMAPT
SCHEMBL3414003 0.81 NQO2 (0.50) NQO2ALDH1A1GAAMAPTRAB9A
Phosphine SCHEMBL28356756 0.80 TLR8 (0.61) TLR8LIPGKCNH2ALDH1A1MAPT
SCHEMBL6818826 0.80 TLR8 (0.47) TLR8LIPGKCNH2ALDH1A1GAA
Hydrochloric Acid SCHEMBL6769346 0.79 NQO2 (0.48) NQO2ALDH1A1GAAMAPTRAB9A
SCHEMBL7600918 0.77 TLR8 (0.61) TLR8ALDH1A1GAAMAPTRAB9A
SCHEMBL29287282 0.76 LIPG (0.67) LIPGKCNH2MAPTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572258-A C 2 Preparation method of axial chiral biquinoline framework compound 中国科学院成都有机化学有限公司 2023-01-06 CN claimed
CN-115403522-A Biphenyl quinoline skeleton compound with C2 axis chirality, chiral isomer thereof, preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN claimed
EP-3900742-B1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEAGEN INC (US) 2024-05-15 EP disclosed
CN-114732916-B Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2023-12-19 CN disclosed
CN-115572258-A C 2 Preparation method of axial chiral biquinoline framework compound 中国科学院成都有机化学有限公司 2023-01-06 CN disclosed
CN-115403523-A Biquinoline-aryl phenol framework compound with axial chirality and preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN disclosed
CN-115403522-A Biphenyl quinoline skeleton compound with C2 axis chirality, chiral isomer thereof, preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN disclosed
CN-114732916-A Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-07-12 CN disclosed
CN-107108694-B Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-05-03 CN disclosed
CN-114133395-A Pyrroloquinazolinone skeleton compound with fluorescence characteristic, preparation method and application 中国科学院成都有机化学有限公司 2022-03-04 CN disclosed
CN-113827737-A Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2021-12-24 CN disclosed
EP-3900742-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES Seagen Inc. (US) 2021-10-27 EP disclosed
EP-3191502-B1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEAGEN INC (US) 2021-04-21 EP disclosed
CN-109305937-A Quinoline derivatives and preparation method thereof and the application in neuroprotection 王萍 2019-02-05 CN disclosed
CN-108947969-A Quinoline derivatives and preparation method thereof with neuroprotection 王萍 2018-12-07 CN disclosed
CN-108929318-A 2- furans aldehyde compound and its application in Alzheimer disease drugs 王萍 2018-12-04 CN disclosed
US-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC. (US) 2017-08-31 US disclosed
EP-3191502-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES Seattle Genetics, Inc. (US) 2017-07-19 EP disclosed
WO-2016040684-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC (US) 2016-03-17 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 (1 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-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 TLR8 317/4885NQO2 651/4885LIPG 472/4885

“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.