SCHEMBL20770858

SCHEMBL20770858

COc1ccc2c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)ccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
ENPP1 P22413 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NAMPT P43490 2/20 0.41
AKT1 P31749 1/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HDAC1 Q13547 2/20 0.39
ENPP3 O14638 1/20 0.38
DYRK1A Q13627 1/20 0.38
HPN P05981 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
ATR Q13535 1/20 0.38
XBP1 P17861 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
GAA P10253 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
SCHEMBL2925641 0.84 GRM2 (0.44) GRM2L3MBTL1NAMPTAKT1MAPT
SCHEMBL7022247 0.80 GRM2 (0.48) GRM2L3MBTL1NAMPTAKT1MAPT
SCHEMBL20782574 0.80 ENPP3 (0.62) GRM2ENPP1L3MBTL1NAMPTAKT1
SCHEMBL22407525 0.78 ENPP1 (0.43) GRM2ENPP1MAPTHDAC1ENPP3
SCHEMBL20782643 0.78 GRM2 (0.47) GRM2ENPP1L3MBTL1NAMPTAKT1
SCHEMBL30445886 0.78 GRM2 (0.47) GRM2ENPP1L3MBTL1NAMPTAKT1
SCHEMBL24600497 0.77 L3MBTL1 (0.47) GRM2L3MBTL1NAMPTAKT1MAPT
SCHEMBL29691612 0.77 L3MBTL1 (0.47) GRM2L3MBTL1NAMPTAKT1MAPT
SCHEMBL20771271 0.77 ENPP1 (0.43) GRM2ENPP1
SCHEMBL20782680 0.77 ENPP1 (0.64) GRM2ENPP1HDAC1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
EP-3676254-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF AbbVie Inc. (US) 2020-07-08 EP disclosed
CN-111315723-A Extramembranous nucleotide pyrophosphatase-phosphodiesterase 1(ENPP-1) inhibitor and application thereof 艾伯维公司 2020-06-19 CN disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 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 (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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 GRM2 2787/4885ENPP1 1/4885L3MBTL1 2922/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 GRM2 2787/4885ENPP1 1/4885L3MBTL1 2922/4885

“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.