SCHEMBL1766083

SCHEMBL1766083

O=[N+]([O-])c1ccc2c(O)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.57
ALK Q9UM73 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDR P35968 1/20 0.47
TNF P01375 1/20 0.46
CRHBP P24387 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL1192812 0.88 ALK (0.60) EGFRALKMEN1KMT2APOLB
SCHEMBL27790358 0.83 EGFR (0.57) EGFRALKMEN1KMT2APOLB
SCHEMBL1438135 0.83 EGFR (0.57) EGFRALKMEN1KMT2AKDR
SCHEMBL29873053 0.81 EGFR (0.56) EGFRALKMEN1KMT2APOLB
SCHEMBL28526466 0.81 EGFR (0.56) EGFRALKMEN1KMT2APOLB
SCHEMBL1438134 0.81 EGFR (0.56) EGFRALKMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7209642 0.80 EGFR (0.55) EGFRALKMEN1KMT2APOLB
SCHEMBL27737755 0.79 EGFR (0.53) EGFRALKMEN1KMT2APOLB
SCHEMBL3527024 0.78 EGFR (0.52) EGFRALKMEN1KMT2APOLB
SCHEMBL1438274 0.77 EGFR (0.66) EGFRALKMEN1KMT2APOLB

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
CN-118546142-A Novel quinazoline and tetrahydronaphthalene ring PROTAC compound and preparation method and application thereof 辽宁大学 2024-08-27 CN disclosed
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 EP disclosed
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 EP disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 WO disclosed
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 WO disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885ALK 3503/4885MEN1 1022/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885ALK 3503/4885MEN1 1022/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK EGFR 125/4885ALK 28/4885MEN1 4760/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 EGFR 222/4885ALK 21/4885MEN1 4190/4885

“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.