SCHEMBL937501

SCHEMBL937501

CN(C)c1nc(-c2ccccc2F)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.70
CYP1A2 P05177 8/20 0.70
TSHR P16473 5/20 0.70
CLK4 Q9HAZ1 4/20 0.70
CYP2C19 P33261 4/20 0.70
MAPK1 P28482 2/20 0.70
ALDH1A1 P00352 6/20 0.69
CYP3A4 P08684 6/20 0.69
LMNA P02545 4/20 0.69
ALOX15 P16050 3/20 0.69
HSD17B10 Q99714 3/20 0.69
TP53 P04637 2/20 0.69
USP2 O75604 1/20 0.69
MAPT P10636 4/20 0.68
CYP2C9 P11712 3/20 0.68
GBA1 P04062 3/20 0.63
HIF1A Q16665 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GLA P06280 2/20 0.59
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL1083964 0.90 CYP2D6 (0.65) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1083941 0.85 MAPT (0.70) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1084479 0.85 CYP2D6 (0.63) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1083778 0.85 CYP2D6 (0.63) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1083894 0.85 CYP2D6 (0.56) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1084357 0.85 CYP1A2 (0.56) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1084003 0.84 CYP2D6 (0.59) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1084445 0.84 CYP2D6 (0.62) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1083944 0.84 LMNA (0.81) CYP2D6CYP1A2TSHRCLK4CYP2C19
SCHEMBL1084031 0.83 CYP1A2 (0.50) CYP2D6CYP1A2TSHRCLK4CYP2C19

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 24 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
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US 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

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 CYP2D6 2468/4885CYP1A2 2515/4885TSHR 3915/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B CYP2D6 1496/4885CYP1A2 1509/4885TSHR 4227/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885CYP1A2 2515/4885TSHR 3915/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885CYP1A2 2515/4885TSHR 3915/4885

“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.