SCHEMBL1014741

SCHEMBL1014741

Cc1cnc(N)nc1-c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
ALOX5AP P20292 1/20 0.40
GRM6 O15303 1/20 0.39
ADORA1 P30542 3/20 0.39
HPGDS O60760 1/20 0.38
CDK8 P49336 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LHCGR P22888 1/20 0.38
ROCK1 Q13464 1/20 0.37
ADORA2A P29274 1/20 0.37
MAP2K4 P45985 1/20 0.37
DHFR P00374 1/20 0.36
NPC1 O15118 1/20 0.36
ADK P55263 1/20 0.36
STAT3 P40763 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
SCHEMBL27862732 0.88 ALDH1A1 (0.45) FGFR3KDRALOX5APADORA1CDK8
SCHEMBL1014989 0.85 CA12 (0.47) GRM6ADORA1HPGDSABCG2ADORA2A
SCHEMBL31049680 0.83 SLC7A5 (0.43) SLC7A5GRM6HPGDSABCB1ABCG2
SCHEMBL725997 0.83 SLC7A5 (0.43) SLC7A5GRM6HPGDSABCB1ABCG2
SCHEMBL1951961 0.82 ALOX5AP (0.49) SLC7A5ALOX5APGRM6HPGDSCDK8
SCHEMBL4052604 0.82 ALOX5AP (0.49) FGFR3KDRALOX5APADORA1MAP2K4
SCHEMBL1019131 0.80 SLC7A5 (0.42) SLC7A5GRM6HPGDSCDK8ABCB1
SCHEMBL19439096 0.78 ABCG2 (0.41) SLC7A5ADORA1HPGDSCDK8ABCB1
SCHEMBL18425126 0.78 ABCG2 (0.41) SLC7A5HPGDSABCB1ABCG2MAP2K4
SCHEMBL725346 0.78 TRPV1 (0.46) SLC7A5ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 EP disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
EP-2271622-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2011-01-12 EP disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 SLC7A5 329/4885FGFR3 1312/4885KDR 3287/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 SLC7A5 468/4885FGFR3 1571/4885KDR 3087/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 SLC7A5 468/4885FGFR3 1571/4885KDR 3087/4885

“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.