SCHEMBL2847756

SCHEMBL2847756

Cc1cc(C)c2c(CC(N)=O)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
GPR17 Q13304 1/20 0.40
ADRB2 P07550 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL2673123 0.86 KDM4E (0.55) ICMTGAANPSR1KDM4EPOLB
SCHEMBL27697649 0.82 KDM4E (0.41) GAANPSR1KDM4EPOLBMAPT
SCHEMBL3267595 0.77 HTR2C (0.44) KDM4EPOLBMAPTGPR17GPR84
SCHEMBL20551235 0.77 KMT2A (0.51) NPSR1KDM4EPOLBMAPTHPGD
SCHEMBL1587240 0.76 HTR2A (0.57) MAPTTSHRHTR2A
SCHEMBL10123846 0.75 ICMT (0.66) ICMTGAANPSR1MAPTHTR2A
SCHEMBL2845034 0.74 ICMT (0.61) ICMTGAANPSR1KDM4EHPGD
Hydrochloric Acid SCHEMBL7817897 0.74 HTR2A (0.55) NPSR1MAPTTSHRHTR2AMEN1
SCHEMBL2255648 0.72 HTR2A (0.47) GAAKDM4EPOLBMAPTTSHR
SCHEMBL1395838 0.72 ICMT (0.79) ICMTNPSR1KDM4EPOLBMAPT

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
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 US disclosed
US-8697687-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20130012500-A1 ORGANIC COMPOUNDS BHALAY GURDIP (GB) 2013-01-10 US disclosed
CN-102665715-A Compositions for treatment of cystic fibrosis and other chronic diseases VERTEX PHARMA 2012-09-12 CN disclosed
EP-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
CN-101939054-A Organic compounds NOVARTIS AG 2011-01-05 CN disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (8 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-20130012500-A1 ORGANIC COMPOUNDS OR10J3, REN, CACNA1E ICMT 2386/4885GAA 4164/4885NPSR1 539/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ICMT 1634/4885GAA 969/4885NPSR1 3515/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ICMT 4791/4885GAA 4167/4885NPSR1 371/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ICMT 1634/4885GAA 969/4885NPSR1 3515/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ICMT 1634/4885GAA 969/4885NPSR1 3515/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E ICMT 2386/4885GAA 4164/4885NPSR1 539/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ICMT 1634/4885GAA 969/4885NPSR1 3515/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ICMT 4791/4885GAA 4167/4885NPSR1 371/4885

“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.