SCHEMBL1806113

SCHEMBL1806113

COC(=O)c1c(N)cc(OC)c(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
POLB P06746 2/20 0.60
GAA P10253 1/20 0.50
CISD2 Q8N5K1 1/20 0.49
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 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
SCHEMBL7656050 0.88 KDM4E (0.51) KDM4EPOLBGAACISD2HSD17B10
SCHEMBL6826509 0.86 KDM4E (0.56) KDM4EPOLBGAACISD2HSD17B10
SCHEMBL29033634 0.84 KDM4E (0.49) KDM4EPOLBTSHRSMN1; SMN2TUBB4A
SCHEMBL1807423 0.84 KDM4E (0.49) KDM4EPOLBHSD17B10TSHRSMN1; SMN2
SCHEMBL6943414 0.83 KDM4E (0.47) KDM4EPOLBGAACISD2HSD17B10
SCHEMBL7655424 0.82 KDM4E (0.49) KDM4EPOLBGAACISD2HSD17B10
Hydrochloric Acid SCHEMBL20547016 0.82 DPP4 (0.48) KDM4EPOLBGAAUSP2SMN1; SMN2
SCHEMBL30251221 0.80 KDM4E (0.67) KDM4EPOLBGAACISD2HSD17B10
SCHEMBL12587644 0.80 POLB (0.57) KDM4EPOLBGAACISD2HSD17B10
SCHEMBL9559705 0.79 KDM4E (0.45) KDM4EPOLBGAATSHRSMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037279-A 4-N substituted quinazoline derivants adopting pentadienone structure and preparation and application of 4-N substituted quinazoline derivants UNIV GUIZHOU 2015-11-11 CN disclosed
CN-102942529-B 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound as well as preparation method and application of 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound UNIV GUIZHOU 2015-06-24 CN disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
CN-102711474-B Quinazoline compounds GLAXOSMITHKLINE LLC 2014-09-10 CN disclosed
CN-102942529-A 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound as well as preparation method and application of 4-(4-substituted piperazine)-5,6,7-trialkoxy quinazoline type compound UNIV GUIZHOU 2013-02-27 CN disclosed
CN-102875481-A 4-[2-(substituted benzylidene) hydrazino]-5, 6, 7-trialkoxy quinazoline compound and preparation method and application UNIV GUIZHOU 2013-01-16 CN disclosed
CN-102711474-A Quinazoline compounds GLAXOSMITHKLINE LLC 2012-10-03 CN disclosed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
CN-101463015-B Preparation of 5,6,7-trialkoxy-N-aryl substituted-4-amino quinazoline derivative and compound synthesized thereby UNIV GUIZHOU 2010-12-08 CN disclosed
CN-101463015-A Preparation of 5,6,7-trialkoxy-N-aryl substituted-4-amino quinazoline derivative and compound synthesized thereby UNIV GUIZHOU (CN) 2009-06-24 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 (1 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR KDM4E 2677/4885POLB 2726/4885GAA 2998/4885

“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.