SCHEMBL938264

SCHEMBL938264

CN(C)c1nc(N2C(=O)CCC2=O)nc2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
EGLN1 Q9GZT9 5/20 0.38
TDO2 P48775 3/20 0.37
IDO2 Q6ZQW0 3/20 0.37
IDO1 P14902 2/20 0.37
CASP3 P42574 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE10A Q9Y233 1/20 0.35
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL3629404 0.79 CASP3 (0.37) TDO2IDO2IDO1CASP3ALDH1A1
SCHEMBL1084180 0.77 HTR3A (0.43) HTR3AHRH4EGLN1TDO2IDO2
SCHEMBL939223 0.72 EGLN1 (0.39) HTR3AHRH4EGLN1TDO2IDO2
SCHEMBL938122 0.71 KCNH2 (0.43) CASP3BCHEACHEGRIN1GRIN2A
SCHEMBL939079 0.71 HTR3A (0.42) HTR3AHRH4CASP3PDE10ABCHE
SCHEMBL1084919 0.69 PLA2G2A (0.43) HTR3AHRH4EGLN1CASP3
SCHEMBL1084357 0.65 CYP1A2 (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL1084152 0.63 TSHR (0.53) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL1084347 0.62 HTR3A (0.65) HTR3AHRH4PDE10A
SCHEMBL938897 0.62 GLA (0.44) EGLN1TDO2IDO2IDO1ALDH1A1

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
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
EP-1608632-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-12-30 EP disclosed
EP-1608632-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-12-30 EP disclosed
EP-1608632-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2005-12-28 EP disclosed
US-20040248890-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2004-12-09 US disclosed
WO-2004078733-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-16 WO disclosed
WO-2004078733-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-16 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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I HTR3A 601/4885HRH4 527/4885EGLN1 4009/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B HTR3A 620/4885HRH4 671/4885EGLN1 3317/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I HTR3A 601/4885HRH4 527/4885EGLN1 4009/4885

“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.