SCHEMBL938176

SCHEMBL938176

COC(=O)c1ccc2c(N(C)C)nc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.50
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
LCK P06239 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL1084726 0.85 CSNK2A2 (0.46) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL559538 0.83 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25252210 0.81 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25293867 0.81 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL13413645 0.74 EGFR (0.67) KDM4EMAPTEGFRKDRTP53
SCHEMBL18706005 0.74 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25251658 0.74 TP53 (0.50) CSNK2A1ALDH1A1KDM4ELCKALOX15
SCHEMBL29893021 0.74 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL23577157 0.74 EGFR (0.57) KDM4EMAPTEGFRKDR
SCHEMBL25286061 0.74 TLR7 (0.48) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E

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 13 patents. 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-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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
CN-1784391-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2010-06-09 CN 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
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

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 CSNK2A1 1306/4885CSNK2A2 1099/4885CSNK2B 1434/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B CSNK2A1 1807/4885CSNK2A2 1619/4885CSNK2B 1833/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CSNK2A1 1306/4885CSNK2A2 1099/4885CSNK2B 1434/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CSNK2A1 1306/4885CSNK2A2 1099/4885CSNK2B 1434/4885

“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.