SCHEMBL4965169

SCHEMBL4965169

COc1cc2ncnc(N3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.61
MAPK1 P28482 1/20 0.58
ACHE P22303 2/20 0.57
BACE1 P56817 2/20 0.57
PDGFRB P09619 7/20 0.54
PDGFRA P16234 3/20 0.54
PDE10A Q9Y233 1/20 0.53
AURKA O14965 1/20 0.51
KIT P10721 1/20 0.51
FLT3 P36888 1/20 0.51

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
SCHEMBL4966752 0.94 ENPP1 (0.56) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL10802322 0.87 ENPP1 (0.52) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22455038 0.87 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL24391608 0.86 ENPP1 (0.67) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL29588711 0.85 ACHE (0.49) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22455025 0.85 ENPP1 (0.66) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL24393164 0.85 ACHE (0.49) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL22455401 0.84 NCF1 (0.56) PDGFRBPDGFRAPDE10AKIT
SCHEMBL4966180 0.83 PAK1 (0.49) PDGFRBPDE10AKIT
SCHEMBL2794592 0.82 LMNA (0.55) PDGFRBPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
CN-113924092-A Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-01-11 CN disclosed
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed
US-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2020-09-24 US disclosed
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
EP-1893206-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135636-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (5 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-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ENPP1, ENPP3, PDE7A ENPP1 1/4885MAPK1 1106/4885ACHE 370/4885
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ ENPP1 1922/4885MAPK1 1237/4885ACHE 4844/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 ENPP1 1/4885MAPK1 1947/4885ACHE 208/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885MAPK1 417/4885ACHE 4535/4885
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof ENPP1, ENPP3, PDE7A ENPP1 1/4885MAPK1 1106/4885ACHE 370/4885

“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.