SCHEMBL21358424

SCHEMBL21358424

COc1cc2ncnc(N3CCC(CCN[SH](=O)=O)CC3)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.71
MAPK1 P28482 1/20 0.58
ACHE P22303 3/20 0.56
BACE1 P56817 3/20 0.56
PDE10A Q9Y233 2/20 0.55
HTR1A P08908 5/20 0.54
HTR7 P34969 4/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
TNKS O95271 1/20 0.52
PARP1 P09874 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52

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
SCHEMBL29354481 1.00 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL23727319 0.96 ENPP1 (0.73) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407501 0.93 ENPP1 (0.64) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407607 0.93 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407359 0.93 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407453 0.92 ENPP1 (0.61) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407443 0.92 ENPP1 (0.61) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407331 0.89 ENPP1 (0.66) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22407459 0.85 ENPP1 (0.61) ENPP1PDE10AHTR1AHTR7ADRA1D
SCHEMBL22407573 0.85 ENPP1 (0.53) ENPP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941459-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2026-05-06 EP disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
EP-3941459-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2022-01-26 EP 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
US-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2020-09-24 US disclosed
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019177971-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-09-19 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-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ENPP1, ENPP3, PDE7A ENPP1 1/4885MAPK1 1106/4885ACHE 370/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885ACHE 2363/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885ACHE 2363/4885
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.