SCHEMBL4253983

SCHEMBL4253983

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
OGA O60502 8/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CYP1A2 P05177 1/20 0.31
GRM5 P41594 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
PGK1 P00558 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 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
SCHEMBL4250899 0.83 ATR (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL4256289 0.75 PGK1 (0.35) SMN1; SMN2GRM5LMNAPKMPGK1
SCHEMBL22262594 0.74 PGK1 (0.37) EGLN1SMN1; SMN2GRM5LMNAPKM
SCHEMBL22262593 0.74 PGK1 (0.37) EGLN1SMN1; SMN2GRM5LMNAPKM
SCHEMBL21052161 0.70 NPC1 (0.44) LMNAFFAR1FFAR4
SCHEMBL20397416 0.69 KCNQ3 (0.37) SMN1; SMN2CYP1A2
SCHEMBL16702509 0.69 ABL1 (0.38) SMN1; SMN2
SCHEMBL3708385 0.67 KCNQ3 (0.33) SMN1; SMN2
SCHEMBL31125285 0.67 EGLN1 (0.38) EGLN1OGAPGK1
SCHEMBL16702016 0.67 FFAR2 (0.34) SMN1; SMN2

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 11 patents. 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-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
EP-2826778-A1 Azaindole derivatives as CFTR modulators Vertex Pharmaceuticals Incorporated (US) 2015-01-21 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-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
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 EGLN1 3514/4885OGA 2756/4885HIF1A 3899/4885
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 EGLN1 3514/4885OGA 2756/4885HIF1A 3899/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 EGLN1 3514/4885OGA 2756/4885HIF1A 3899/4885

“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.