Quinazoline

Quinazoline

SCHEMBL81539

c1cc[nH]c1.c1ccc2ncncc2c1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.77
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
TDO2 P48775 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
Quinazoline SCHEMBL28273879 0.92 EGFR (0.65) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL28821495 0.92 EGFR (0.65) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL29490398 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL22833783 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL5920 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL29356169 0.88 EGFR (1.00) EGFRPIK3CDPIK3CATDO2ALDH1A1
SCHEMBL3196932 0.86 EGFR (0.95) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL5579413 0.86 EGFR (0.95) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL1119374 0.86 EGFR (0.95) EGFRPIK3CDPIK3CATDO2ALDH1A1
Quinazoline SCHEMBL21055790 0.86 EGFR (0.95) EGFRPIK3CDPIK3CATDO2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101987847-B Novel heterocyclic NF-kB inhibitors 4SC AG 2012-10-10 CN disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
CN-101987847-A Novel heterocyclic NF-kB inhibitors 4SC AG 2011-03-23 CN disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
CN-100360133-C Tetrodotoxin respiratory tract administration prepn. used for giving-up drug and easing pain XINFU PAN (CN) 2008-01-09 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed
EP-1797084-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2007-06-20 EP disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
WO-2006032322-A1 NOVEL HETEROCYCLIC NF-κB INHIBITORS 4SC AG (DE) 2006-03-30 WO disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 US disclosed
CN-1688582-A Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2005-10-26 CN disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed
CN-1459286-A Tetrodotoxin respiratory tract administration prepn. used for giving-up drug and easing pain PAN XINFU (CN) 2003-12-03 CN 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 EGFR 352/4885PIK3CD 2/4885PIK3CA 1/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG EGFR 468/4885PIK3CD 2/4885PIK3CA 1/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB EGFR 131/4885PIK3CD 3724/4885PIK3CA 3274/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB EGFR 109/4885PIK3CD 3843/4885PIK3CA 3357/4885

“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.