SCHEMBL689871

SCHEMBL689871

CCOC(=O)c1c(-c2ccncc2)csc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
HSD17B10 Q99714 5/20 1.00
HPGD P15428 3/20 1.00
PRKCZ Q05513 10/20 0.78
PRKCI P41743 2/20 0.70
MAPT P10636 6/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALOX15 P16050 3/20 0.70
USP2 O75604 1/20 0.70
GAA P10253 2/20 0.66
MPI P34949 1/20 0.66
KEAP1 Q14145 1/20 0.66
MAPK1 P28482 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
RECQL P46063 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.55

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
SCHEMBL8289654 0.87 PRKCZ (1.00) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL1190649 0.87 PRKCZ (0.80) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL690278 0.87 PRKCZ (0.84) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL689937 0.87 ALDH1A1 (0.77) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL1554182 0.86 PRKCZ (0.82) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL8290363 0.86 PRKCZ (0.82) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL689204 0.85 PRKCZ (1.00) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL689112 0.85 PRKCZ (0.80) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL689452 0.85 PRKCZ (0.80) ALDH1A1HSD17B10HPGDPRKCZPRKCI
SCHEMBL690269 0.85 PRKCZ (1.00) ALDH1A1HSD17B10HPGDPRKCZPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 CN disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
US-8889672-B2 Compounds, formulations, and methods of protein kinase C inhibition THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 US disclosed
US-8889672-B2 Compounds, formulations, and methods of protein kinase C inhibition THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 US disclosed
US-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition THE PENN STATE RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition THE PENN STATE RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
WO-2012149452-A1 COMPOUNDS, FORMULATIONS, AND METHODS OF PROTEIN KINASE C INHIBITION REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-01 WO disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US disclosed
EP-1831229-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceutical Corporation (US) 2007-09-12 EP disclosed
WO-2006071988-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORP. (US) 2006-07-06 WO disclosed
EP-1558607-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-03 EP disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 ALDH1A1 2462/4885HSD17B10 1982/4885HPGD 372/4885
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH ALDH1A1 4771/4885HSD17B10 3750/4885HPGD 2064/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885HSD17B10 1131/4885HPGD 587/4885
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors PDE12, PDE7A, PDE7B ALDH1A1 576/4885HSD17B10 237/4885HPGD 163/4885
US-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition PRKCA, PRKCH, PRKCI ALDH1A1 4665/4885HSD17B10 3787/4885HPGD 3541/4885

“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.