SCHEMBL2844979

SCHEMBL2844979

NC(=O)N1CNC(c2ccccc2)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
POLB P06746 1/20 0.37
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC9A1 P19634 1/20 0.33
HDAC2 Q92769 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
ELANE P08246 1/20 0.32
ACHE P22303 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
SCHEMBL5585868 0.69 POLB (0.41) POLBMEN1KMT2AHDAC2ALDH1A1
SCHEMBL10153219 0.66 NR1H2 (0.44) RIPK1
SCHEMBL28292980 0.66 MEN1 (0.36) POLBMEN1KMT2AALDH1A1RIPK1
SCHEMBL28490903 0.66 ALDH1A1 (0.41) GBA1MEN1KMT2AALDH1A1KDM1A
SCHEMBL12944008 0.66 RIPK1 (0.63) POLBRIPK1TACR1
SCHEMBL2032352 0.66 OPRK1 (0.38) POLBSLC9A1RIPK1KDM1ALMNA
SCHEMBL30782004 0.65 RAB9A (0.49) POLBHDAC2ALDH1A1SMN1; SMN2
SCHEMBL26303505 0.65 TSHR (0.42) GBA1SLC9A1ALDH1A1SIGMAR1LMNA
SCHEMBL28272835 0.65 KDM4E (0.40) GBA1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2386164 0.64 DPP4 (0.47) POLBRIPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520574-A1 Amiloride analogues substituted on the cyclic guanidine moiety as ENaC blockers for treating respiratory diseases Novartis AG (CH) 2012-11-07 EP claimed
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
EP-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US 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 GBA1 2558/4885POLB 3495/4885RCE1 3209/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GBA1 450/4885POLB 3770/4885RCE1 1800/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G GBA1 1232/4885POLB 4649/4885RCE1 2200/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GBA1 450/4885POLB 3770/4885RCE1 1800/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GBA1 450/4885POLB 3770/4885RCE1 1800/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E GBA1 2558/4885POLB 3495/4885RCE1 3209/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GBA1 450/4885POLB 3770/4885RCE1 1800/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G GBA1 1232/4885POLB 4649/4885RCE1 2200/4885

“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.