SCHEMBL20838469

SCHEMBL20838469

CC(=O)Nc1cc(C(F)(F)F)cc2ccc(C=O)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.46
▸ FGFR4 P22455 2/20 0.44
▸ MAPKAPK2 P49137 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ TOP2A P11388 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20838511 0.83 PTPN5 (0.49) PTPN5CYP1A2CYP2C9CYP2C19SLC40A1
SCHEMBL20838479 0.80 CCR1 (0.42) FGFR4ALDH1A1CCR1DYRK1AADORA3
SCHEMBL28004161 0.75 CCR1 (0.50) FGFR4MAPKAPK2SLC40A1ALDH1A1CCR1
SCHEMBL20838475 0.74 MOK (0.39) PTPN5CYP1A2CYP2C9CYP2C19SLC40A1
SCHEMBL3333964 0.74 CCR1 (0.47) FGFR4MAPKAPK2ALDH1A1CCR1MEN1
SCHEMBL20838495 0.71 CCR1 (0.44) FGFR4MAPKAPK2CYP2C19SLC40A1ALDH1A1
SCHEMBL21214237 0.71 MAPT (0.48) PTPN5CYP1A2CYP2C9CYP2C19SLC40A1
SCHEMBL6937489 0.71 CYP1A2 (0.56) PTPN5CYP1A2CYP2C9CYP2C19SLC40A1
SCHEMBL20882035 0.70 CYP17A1 (0.38) FGFR4MAPKAPK2CCR1DYRK1ARXFP1
SCHEMBL30711791 0.70 CYP17A1 (0.38) FGFR4MAPKAPK2CCR1DYRK1ARXFP1

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-3466931-B1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE UNIV GUANGDONG TECHNOLOGY (CN) 2024-01-10 — — EP disclosed
US-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease UNIV GUANGDONG TECHNOLOGY (CN) 2020-10-20 — — US disclosed
US-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease UNIV GUANGDONG TECHNOLOGY (CN) 2020-10-20 — — US disclosed
EP-3466931-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE Guangdong University Of Technology (CN) 2019-04-10 — — EP disclosed
EP-3466931-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE Guangdong University Of Technology (CN) 2019-04-10 — — EP disclosed
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE GUANGDONG UNIVERSITY OF TECHNOLOGY 2019-03-28 — — US disclosed
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE GUANGDONG UNIVERSITY OF TECHNOLOGY 2019-03-28 — — 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 (2 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-10807957-B2 Tetradentate chelating monoquinoline derivative, manufacturing method thereof, and application of same as metal ion regulator for neurodegenerative disease SOD1, SLC30A6, SLC30A7 PTPN5 4083/4885FGFR4 4150/4885MAPKAPK2 4191/4885
US-20190092730-A1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE SOD1, SLC30A6, SLC30A7 PTPN5 4083/4885FGFR4 4150/4885MAPKAPK2 4191/4885

“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.

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