SCHEMBL3082

SCHEMBL3082

CNc1nc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
SCN9A Q15858 1/20 0.41
GCGR P47871 3/20 0.41
HMGCR P04035 5/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE6D O43924 1/20 0.36
NR1I2 O75469 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL17875116 0.87 ADORA1 (0.41) ADORA1SCN9AGCGRHMGCRHDAC1
SCHEMBL1785167 0.84 GCGR (0.40) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL8241631 0.82 GCGR (0.44) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL7920443 0.81 GCGR (0.43) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL27850982 0.81 GCGR (0.43) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL527760 0.80 ADORA1 (0.49) ADORA1SCN9AGCGR
SCHEMBL2340032 0.79 ADORA1 (0.48) ADORA1SCN9AGCGR
SCHEMBL2340089 0.79 ADORA1 (0.48) ADORA1SCN9AGCGR
SCHEMBL2344474 0.79 ADORA1 (0.48) ADORA1SCN9AGCGR
SCHEMBL27633941 0.79 ADORA1 (0.43) ADORA1SCN9AGCGRHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178280-A Preparation method of rosuvastatin calcium genotoxic impurity 浙江乐普药业股份有限公司 2023-05-30 CN claimed
CN-116178280-A Preparation method of rosuvastatin calcium genotoxic impurity 浙江乐普药业股份有限公司 2023-05-30 CN disclosed
CN-116178280-A Preparation method of rosuvastatin calcium genotoxic impurity 浙江乐普药业股份有限公司 2023-05-30 CN disclosed
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 US disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2011-12-01 US disclosed
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2011-12-01 US disclosed
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2011-12-01 US disclosed
EP-2178847-A2 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES Ratiopharm GmbH (DE) 2010-04-28 EP disclosed
WO-2009024323-A2 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2009-02-26 WO disclosed
WO-2009024323-A2 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2009-02-26 WO disclosed
WO-2007074391-A2 PREPARATION OF A KEY INTERMEDIATE IN THE SYNTHESIS OF ROSUVASTATIN KHAMAR BAKULESH MAFATLAL (IN) 2007-07-05 WO disclosed
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
US-5260440-A Anticholesterol agents SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
EP-0521471-A1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP 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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH ADORA1 2992/4885SCN9A 4346/4885GCGR 2328/4885
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES HMGCR, DPYD, FDPS ADORA1 1072/4885SCN9A 4303/4885GCGR 1884/4885

“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.