SCHEMBL937503

SCHEMBL937503

CN(C)c1nc(-c2ccccc2O)nc2ccc(N3CCOCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TDO2 P48775 1/20 0.49
IDO2 Q6ZQW0 1/20 0.49
PIK3CA P42336 7/20 0.48
PIK3CG P48736 4/20 0.48
PIK3CD O00329 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
PTK2B Q14289 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
CYP2D6 P10635 3/20 0.44

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
SCHEMBL1084436 0.87 MAPT (0.48) MAPTTDO2IDO2PIK3CAPIK3CD
SCHEMBL939175 0.87 CYP1A2 (0.47) MAPTPIK3CAPIK3CGPIK3CDALDH1A1
SCHEMBL18294647 0.78 TDO2 (0.56) MAPTTDO2IDO2PIK3CAPIK3CG
SCHEMBL940040 0.77 CYP1A2 (0.60) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL1084294 0.77 HIF1A (0.51) MAPTTDO2IDO2ALDH1A1KDM4E
SCHEMBL1084425 0.77 TSHR (0.55) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL1084870 0.76 TSHR (0.50) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL1084217 0.76 CYP2D6 (0.50) MAPTPIK3CDALDH1A1KDM4EHPGD
SCHEMBL1084152 0.76 TSHR (0.53) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL1083829 0.75 CYP2D6 (0.70) MAPTALDH1A1KDM4EHPGDMEN1

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
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-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
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US disclosed
CN-1784391-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2006-06-07 CN 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 (4 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 MAPT 1868/4885TDO2 2972/4885IDO2 2042/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B MAPT 1826/4885TDO2 2547/4885IDO2 1728/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I MAPT 1868/4885TDO2 2972/4885IDO2 2042/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I MAPT 1868/4885TDO2 2972/4885IDO2 2042/4885

“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.