SCHEMBL1766082

SCHEMBL1766082

C#Cc1cccc(Nc2ncnc3cc(F)c([N+](=O)[O-])cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.58
GAK O14976 3/20 0.58
FBP1 P09467 3/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
RIPK2 O43353 2/20 0.54
BUB1 O43683 2/20 0.54
STK10 O94804 2/20 0.54
MAP3K1 Q13233 2/20 0.54
PIP4K2C Q8TBX8 2/20 0.54
SLK Q9H2G2 2/20 0.54
CARS1 P49589 1/20 0.54
ERBB2 P04626 2/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
AURKA O14965 1/20 0.53
EPHB6 O15197 1/20 0.53
SLC22A1 O15245 1/20 0.53
DAPK3 O43293 1/20 0.53
KDM1A O60341 1/20 0.53

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
SCHEMBL29614991 1.00 EGFR (0.58) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL28814010 0.88 EGFR (0.58) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL27369686 0.88 EGFR (0.72) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL20127275 0.88 EGFR (0.72) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1507670 0.87 EGFR (0.71) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL28407487 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29484155 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507680 0.85 EGFR (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29615047 0.85 EGFR (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL26321 0.84 EGFR (0.64) EGFRFBP1ERBB2DAPK3ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121434-A Preparation method of high-purity quinazoline drug intermediate 精华制药集团股份有限公司 2021-07-16 CN claimed
CN-114394942-A Tyrosine kinase inhibitor and pharmaceutical application thereof 江苏康可得生物技术股份有限公司 2022-04-26 CN disclosed
CN-113264888-A Tyrosine kinase inhibitor and pharmaceutical application thereof 江苏康可得生物技术股份有限公司 2021-08-17 CN disclosed
CN-113121434-A Preparation method of high-purity quinazoline drug intermediate 精华制药集团股份有限公司 2021-07-16 CN disclosed
CN-113121434-A Preparation method of high-purity quinazoline drug intermediate 精华制药集团股份有限公司 2021-07-16 CN disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
EP-2766356-B1 QUINAZOLINE DERIVATIVES AS KINASES INHIBITORS AND METHODS OF USE THEREOF TELIGENE LTD (CN) 2018-08-01 EP disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
WO-2013053206-A1 QUINAZOLINE DERIVATIVES AS KINASES INHIBITORS AND METHODS OF USE THEREOF TELIGENE LTD (CN) 2013-04-18 WO disclosed
US-20130035350-A1 Novel Quinazoline Derivatives ZHANG QIANG (US) 2013-02-07 US disclosed
US-20130035350-A1 Novel Quinazoline Derivatives ZHANG QIANG (US) 2013-02-07 US disclosed
WO-2011084796-A2 NOVEL QUINAZOLINE DERIVATIVES ZHANG QIANG 2011-07-14 WO disclosed
EP-2318378-A2 QUINAZOLINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2011-05-11 EP disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 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

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 1042/4885GAK 493/4885FBP1 3168/4885
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885GAK 1632/4885FBP1 2501/4885
US-20130035350-A1 Novel Quinazoline Derivatives ERBB2, ERBB3, EGFR EGFR 3/4885GAK 264/4885FBP1 645/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885GAK 1632/4885FBP1 2501/4885

“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.