SCHEMBL4249593

SCHEMBL4249593

CC(C)(C)c1cc2cc(Cl)ncc2n1CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.48
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAT2A P31153 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NR1I2 O75469 1/20 0.31
QRFPR Q96P65 3/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL4250742 0.85 PIK3CB (0.43) CCR9KMT2AKDM4EATMMEN1
SCHEMBL12745362 0.73 CFTR (0.37) ALDH1A1HPGDHSD17B10NR1I2LMNA
SCHEMBL24344438 0.67 CCR9 (0.41) CCR9KMT2AKDM4EMEN1ALDH1A1
SCHEMBL23278440 0.66 CFTR (0.31)
SCHEMBL17119700 0.66 BTK (0.46) CCR9KMT2AMAT2AHSD17B10
SCHEMBL29535317 0.66 CCR9 (0.40) CCR9KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL24343925 0.66 CCR9 (0.40) CCR9KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL12745361 0.66 CFTR (0.36) NR1I2
SCHEMBL9941042 0.65 CCR9 (0.36) CCR9
SCHEMBL12827351 0.64 CFTR (0.35) NR1I2

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
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-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-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
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
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

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 CCR9 3634/4885KMT2A 3125/4885KDM4E 3274/4885
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 CCR9 3634/4885KMT2A 3125/4885KDM4E 3274/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 CCR9 3634/4885KMT2A 3125/4885KDM4E 3274/4885

“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.