SCHEMBL170120

SCHEMBL170120

CN(C)/C=C/c1ccc(C#N)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
APP P05067 1/20 0.34
NFE2L2 Q16236 3/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KIF11 P52732 1/20 0.32
P4HB P07237 2/20 0.31
CYP2A6 P11509 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL2886893 0.80 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL2464723 0.80 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL2460414 0.80 TRPV4 (0.43) RAD51APPKIF11P4HB
SCHEMBL2885976 0.80 TRPV4 (0.43) RAD51APPKIF11P4HB
SCHEMBL395035 0.79 RAD51 (0.36) RAD51ALDH1A1HTTAPPKDM4E
SCHEMBL395034 0.79 RAD51 (0.36) RAD51ALDH1A1HTTAPPKDM4E
SCHEMBL12653177 0.78 AR (0.43) RAD51ALDH1A1APPNFE2L2KDM4E
SCHEMBL232368 0.75 RAD51 (0.54) RAD51CYP11B1CYP11B2APPP4HB
SCHEMBL121887 0.75 RAD51 (0.54) RAD51CYP11B1CYP11B2APPP4HB
SCHEMBL1799897 0.74 VCAM1 (0.51) RAD51ALDH1A1HTTMEN1GAA

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-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 EP disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 WO disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 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-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885CYP11B1 18/4885CYP11B2 8/4885
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE QDPR, DPYD, DPP4 RAD51 3595/4885CYP11B1 101/4885CYP11B2 27/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC RAD51 4527/4885CYP11B1 19/4885CYP11B2 4/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 RAD51 3032/4885CYP11B1 347/4885CYP11B2 242/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885CYP11B1 18/4885CYP11B2 8/4885

“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.