SCHEMBL16398902

SCHEMBL16398902

O=[N+]([O-])c1cccc2c(O)ncnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 8/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
KDM4E B2RXH2 7/20 0.54
TDP1 Q9NUW8 6/20 0.54
LMNA P02545 4/20 0.54
GPR35 Q9HC97 2/20 0.48
PDE10A Q9Y233 1/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MITF O75030 1/20 0.47
CTSB P07858 2/20 0.46
BLM P54132 2/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
HSP90AA1 P07900 2/20 0.46
OPRK1 P41145 2/20 0.46
CASP6 P55212 2/20 0.46
CYP1A2 P05177 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
SCHEMBL27860094 0.87 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2098010 0.80 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27621377 0.78 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6538214 0.77 MAPT (0.77) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2055470 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6595618 0.75 TDP1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15169965 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22120229 0.73 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29800698 0.73 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6537463 0.73 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892684-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2020-05-26 CN disclosed
EP-3022186-B1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2020-02-26 EP disclosed
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 US disclosed
CN-107892684-A Quinazoline derivant and its pharmaceutical composition, and the purposes as medicine 锦州奥鸿药业有限责任公司 2018-04-10 CN disclosed
CN-105705494-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2017-12-15 CN disclosed
US-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS FOCHON PHARMACEUTICALS, LTD. (CN) 2017-09-21 US disclosed
US-9714235-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-07-25 US disclosed
CN-105705494-A Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2016-06-22 CN disclosed
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2016-06-16 US disclosed
EP-3022186-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2016-05-25 EP disclosed
WO-2015007219-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-01-22 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 (3 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-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK ALDH1A1 4319/4885MAPT 1870/4885MEN1 2681/4885
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK ALDH1A1 4319/4885MAPT 1870/4885MEN1 2681/4885
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals ABL1, MAP4K2, DMPK ALDH1A1 4319/4885MAPT 1870/4885MEN1 2681/4885

“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.