Quinoline

Quinoline

SCHEMBL372690

O=C(O)O.c1ccc2ncccc2c1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Quinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
PABPC1 P11940 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MGAM O43451 2/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
CYP3A4 P08684 2/20 0.49
RAB9A P51151 1/20 0.48
MCL1 Q07820 1/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
PLK1 P53350 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
CNR2 P34972 1/20 0.46

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
Quinoline SCHEMBL5283313 1.00 ALDH1A1 (0.77) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL5874493 1.00 ALDH1A1 (0.77) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL28197315 0.98 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL5875372 0.93 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL27473723 0.93 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL5272119 0.93 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL2201840 0.93 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL5875384 0.93 ALDH1A1 (0.74) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL7208557 0.93 ALDH1A1 (0.90) ALDH1A1PABPC1MEN1KMT2AMGAM
Quinoline SCHEMBL1783847 0.91 ALDH1A1 (0.71) ALDH1A1PABPC1MEN1KMT2AMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947863-B Preparation method of nucesin and intermediate thereof 上海博志研新药物技术有限公司 2021-04-30 CN disclosed
CN-108383780-A A kind of Pitavastatin(Ⅲ)Process for purification 湖北荆江源制药股份有限公司 2018-08-10 CN disclosed
CN-106727326-A A kind of quinoxaline liposome and preparation method thereof 河南牧翔动物药业有限公司 2017-05-31 CN disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US disclosed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US disclosed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US disclosed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 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 (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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885PABPC1 4494/4885MEN1 257/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885PABPC1 4494/4885MEN1 257/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885PABPC1 4494/4885MEN1 257/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885PABPC1 4494/4885MEN1 257/4885

“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.