SCHEMBL244423

SCHEMBL244423

O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.67
PRKAA2 P54646 1/20 0.64
NR1I2 O75469 1/20 0.59
NR4A2 P43354 1/20 0.59
PDE4D Q08499 1/20 0.59
HMGCR P04035 2/20 0.56
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GRM2 Q14416 1/20 0.40
ADORA2A P29274 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL29419163 1.00 RXRA (0.67) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL27560748 0.95 RXRA (0.62) RXRAPRKAA2NR1I2NR4A2PDE4D
Quinoline SCHEMBL28262813 0.91 RXRA (0.58) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL18696397 0.88 RXRA (0.65) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL1843198 0.88 RXRA (0.75) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL1844436 0.88 RXRA (0.75) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL29466456 0.88 RXRA (0.75) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL8846271 0.87 RXRA (0.64) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL28287583 0.87 RXRA (0.64) RXRAPRKAA2NR1I2NR4A2PDE4D
SCHEMBL526489 0.85 RXRA (0.68) RXRAPRKAA2NR1I2NR4A2PDE4D

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 309 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444500-A Preparation method of pitavastatin calcium olefin epoxidation impurity 南京长澳医药科技有限公司 2023-07-18 CN claimed
CN-109574999-B Preparation method of pitavastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-03-08 CN claimed
CN-106279016-B A kind of 2- cyclopropyl -4-(4- fluoro-phenyl) -3- quinoline aldehyde synthetic method 黄河三角洲京博化工研究院有限公司 2019-01-08 CN claimed
EP-2788342-B1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-01-24 EP claimed
CN-103974946-B The method for preparing statin precursor 中化帝斯曼制药有限公司荷兰公司 2017-09-29 CN claimed
CN-106279016-A A kind of synthetic method of 2 cyclopropyl 4 (4 fluorophenyl) 3 quinoline aldehydes 黄河三角洲京博化工研究院有限公司 2017-01-04 CN claimed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP claimed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US claimed
EP-2665721-B1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARM NL BV (NL) 2015-07-08 EP claimed
CN-103145613-B Method for synthesizing (E)-3-[2-cyclopropyl-4-(4-fluorophenyl) quinolinyl-2-propenal YELLOW RIVER DELTA JINGBO RES INST CHEMICAL IND CO LTD 2015-04-08 CN claimed
US-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 US claimed
EP-1391455-A1 PROCESS FOR PREPARATION OF A QUINOLINECARBALDEHYDE Daicel Chemical Industries, Ltd. (JP) 2004-02-25 EP claimed
US-20040030139-A1 Process for producing (3R,5S)-(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin- 3-yl]-3, 5-dihydroxyhept-6-enic acid esters NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US claimed
EP-1365029-A1 PROCESS FOR PRODUCING (3R,5S)-(E)-7- 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-QUINOLIN-3-YL]-3,5-DIHYDROXYHEPT-6-ENIC ACID ESTERS MITSUBISHI CHEMICAL CORPORATION (JP) 2003-11-26 EP claimed
EP-1361215-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2003-11-12 EP claimed
US-6541636-B2 Such as 3-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl) prop-2-enenitrile by reacting 2-cyclopropyl-4-(4-fluorophenyl) quinoline-3-carbaldehyde with acetonitrile in the presence of base, then dehydrating; enzyme inhibitors UBE INDUSTRIES, LTD. (JP) 2003-04-01 US claimed
US-20030013885-A1 PROCESS FOR PREPARING QUINOLYLACRYLONITRILE AND INTERMEDIATES THEREFOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-16 US claimed
EP-1251123-A1 PROCESS FOR PREPARING QUINOLYLACRYLONITRILE AND INTERMEDIATES THEREFOR Ube Industries, Ltd. (JP) 2002-10-23 EP claimed
US-6437135-B1 OXIDIZING 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLQUINOLINE WITH A HYPOHALOGENOUS ACID SALT AND A QUATERNARY AMMONIUM SALT TO PRODUCE 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-QUINOLINE-3-CARBALDEHYDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-20 US claimed
EP-1142876-A1 PROCESS FOR PRODUCING QUINOLINECARBALDEHYDE Nissan Chemical Industries, Ltd. (JP) 2001-10-10 EP claimed

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-20040030139-A1 Process for producing (3R,5S)-(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin- 3-yl]-3, 5-dihydroxyhept-6-enic acid esters DHCR7, DHPS, HPD RXRA 1107/4885PRKAA2 856/4885NR1I2 1486/4885
US-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof CPNE4, CYP3A4, CYP4B1 RXRA 4470/4885PRKAA2 2622/4885NR1I2 3259/4885
US-20030013885-A1 PROCESS FOR PREPARING QUINOLYLACRYLONITRILE AND INTERMEDIATES THEREFOR WEE2, WEE1, CYP4F11 RXRA 3421/4885PRKAA2 3505/4885NR1I2 4273/4885

“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.