SCHEMBL2211

SCHEMBL2211

CCOC(=O)c1c(-c2ccc(F)cc2)nc(NC)nc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GCGR P47871 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 1/20 0.43
TP53 P04637 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
GRM6 O15303 1/20 0.42
PRKCZ Q05513 1/20 0.42
AKT1 P31749 1/20 0.42
SLC26A6 Q9BXS9 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
GABRA2 P47869 1/20 0.41

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
SCHEMBL1752147 0.88 GCGR (0.56) ALDH1A1GCGRMAPTKDM4EHPGD
SCHEMBL15481445 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL3843460 0.84 PRKCZ (0.52) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL28300700 0.83 ADORA1 (0.47) GCGR
SCHEMBL14189840 0.83 GCGR (0.40) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL3206 0.83 GCGR (0.47) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL28302219 0.82 ADORA1 (0.46) GCGR
SCHEMBL3589 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL8199366 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRMAPTKDM4E
SCHEMBL8178136 0.82 GCGR (0.64) ALDH1A1L3MBTL1GCGRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-8318933-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD (IN) 2012-11-27 US disclosed
US-8273878-B2 Process for the preparation of pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2012-09-25 US disclosed
US-8212034-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
WO-2010038124-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE AUROBINDO PHARMA LIMITED (IN) 2010-04-08 WO disclosed
EP-2088142-A2 Compounds and Processes AstraZeneca UK Limited (GB) 2009-08-12 EP disclosed
US-7524955-B2 Process for the preparation of pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2009-04-28 US disclosed
WO-2008096257-A1 AN IMPROVED PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2008-08-14 WO disclosed
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 WO disclosed
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 WO disclosed
US-20060052604-A1 Process for the Preparation of Pyrimidine Compounds ASTRAZENECA UK LIMITED (GB) 2006-03-09 US disclosed
EP-1578731-A2 PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2005-09-28 EP disclosed
WO-2004054986-A2 PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2004-07-01 WO 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-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA ALDH1A1 36/4885L3MBTL1 4721/4885GCGR 2274/4885
US-20060052604-A1 Process for the Preparation of Pyrimidine Compounds DPYD, RIOX2, CCNE1 ALDH1A1 2286/4885L3MBTL1 4575/4885GCGR 2604/4885

“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.