SCHEMBL4258147

SCHEMBL4258147

CCC#Cc1cc(Cl)ncc1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.37
ATR Q13535 1/20 0.37
MAPKAPK2 P49137 4/20 0.36
METAP1 P53582 1/20 0.35
AAK1 Q2M2I8 4/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
PTPN11 Q06124 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL15431205 0.86 ATR (0.39) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL4250286 0.85 ATR (0.38) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL4256289 0.83 PGK1 (0.35)
SCHEMBL29659995 0.82 P2RX3 (0.38) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL22298148 0.82 P2RX3 (0.38) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL28389831 0.82 P2RX3 (0.38) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL13659734 0.79 ATR (0.41) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL22298147 0.79 P2RX3 (0.35) P2RX3ATRMAPKAPK2METAP1AAK1
SCHEMBL4250899 0.79 ATR (0.37) P2RX3ATRMAPKAPK2METAP1
SCHEMBL24344456 0.78 ATR (0.36) P2RX3ATRMAPKAPK2METAP1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826778-B1 Azaindole derivatives as CFTR modulators VERTEX PHARMA (US) 2017-09-20 EP disclosed
EP-2826778-B1 Azaindole derivatives as CFTR modulators VERTEX PHARMA (US) 2017-09-20 EP disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 US disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 US disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 US disclosed
US-9102672-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-11 US disclosed
US-9102672-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-11 US disclosed
EP-2118103-B1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2014-04-23 EP disclosed
EP-2118103-B1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2014-04-23 EP disclosed
US-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-23 US disclosed
US-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-23 US disclosed
US-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-23 US disclosed
US-8563573-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US disclosed
US-8563573-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US disclosed
US-8563573-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 US disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 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 (3 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-20140024672-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 P2RX3 146/4885ATR 3781/4885MAPKAPK2 3821/4885
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 P2RX3 146/4885ATR 3781/4885MAPKAPK2 3821/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 P2RX3 146/4885ATR 3781/4885MAPKAPK2 3821/4885

“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.