SCHEMBL251394

SCHEMBL251394

CCCCCC1C=CN(CCCCC)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCD Q05655 4/20 0.33
CDC25A P30304 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GRM2 Q14416 1/20 0.32
CNR2 P34972 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.32
HLCS P50747 1/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL16324744 0.70 DNTT (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
Ammonia Solution, Strong SCHEMBL27690130 0.68
SCHEMBL587248 0.68 HLCS (0.37) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL169504 0.62 ABL1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19683169 0.61 ALDH1A1 (0.37) MGLLALDH1A1MEN1KMT2APRKCD
SCHEMBL16229054 0.61 GPR84 (0.35) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL221917 0.61 GBA1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL7358518 0.61 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL21102160 0.60 PTGS1 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL8036339 0.60 NPC1 (0.37) PTGS1PTGS2MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113563-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS PH PHARMA CO., LTD. (KR) 2021-04-22 US disclosed
US-20190008867-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS PH PHARMA CO., LTD. (KR) 2019-01-10 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-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-8691817-B2 Sulfonic amide and sulfoximine-substituted diaryl-dihydropyrimidinones and usage thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-08 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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 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
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 WO disclosed
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
EP-2037930-A1 THE USE OF 1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION Bayer HealthCare AG (DE) 2009-03-25 EP disclosed
EP-2037930-A1 THE USE OF 1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION Bayer HealthCare AG (DE) 2009-03-25 EP disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
WO-2008003412-A1 THE USE OF 1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2008-01-10 WO disclosed
WO-2008003412-A1 THE USE OF 1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2008-01-10 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 (9 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 PTGS1 475/4885PTGS2 311/4885MGLL 2894/4885
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE QDPR, DPYD, DPP4 PTGS1 121/4885PTGS2 154/4885MGLL 2917/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC PTGS1 457/4885PTGS2 290/4885MGLL 3053/4885
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 PTGS1 316/4885PTGS2 484/4885MGLL 2713/4885
US-20190008867-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS MMP8, COL1A1, MMP1 PTGS1 35/4885PTGS2 74/4885MGLL 4756/4885
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors SERPINB1, ELANE, MPO PTGS1 131/4885PTGS2 304/4885MGLL 799/4885
US-20210113563-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS MMP8, COL1A1, MMP1 PTGS1 35/4885PTGS2 74/4885MGLL 4756/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC PTGS1 475/4885PTGS2 311/4885MGLL 2894/4885
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION PTGS1, DPYD, PTGIS PTGS1 1/4885PTGS2 23/4885MGLL 4601/4885

“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.