SCHEMBL4250899

SCHEMBL4250899

CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C#CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
METAP1 P53582 1/20 0.35
CDK9 P50750 1/20 0.35
CNR2 P34972 2/20 0.34
BTK Q06187 2/20 0.34
JAK3 P52333 1/20 0.34
DGAT1 O75907 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX3 P56373 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 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
SCHEMBL4253983 0.83 EGLN1 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL15431205 0.82 ATR (0.39) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL4250286 0.81 ATR (0.38) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL4258147 0.79 P2RX3 (0.37) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL29659995 0.78 P2RX3 (0.38) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL28389831 0.78 P2RX3 (0.38) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL22298148 0.78 P2RX3 (0.38) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL22298147 0.76 P2RX3 (0.35) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL24344456 0.75 ATR (0.36) ATRMETAP1P2RX3MAPKAPK2
SCHEMBL20870377 0.75 P2RX3 (0.35) ATRMETAP1P2RX3MAPKAPK2

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
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
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
CN-103159760-A Azaindole derivatives as cftr modulators VERTEX PHARMA 2013-06-19 CN disclosed
EP-2118103-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2009-11-18 EP 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
WO-2008127399-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 WO disclosed
WO-2008127399-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 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 (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 ATR 3781/4885METAP1 3074/4885CDK9 3906/4885
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 ATR 3781/4885METAP1 3074/4885CDK9 3906/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 ATR 3781/4885METAP1 3074/4885CDK9 3906/4885

“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.