SCHEMBL4478882

SCHEMBL4478882

Oc1ccc(Nc2ncnc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 1.00
GAA P10253 2/20 0.97
EGFR P00533 6/20 0.75
ERBB2 P04626 2/20 0.75
AURKB Q96GD4 2/20 0.75
CLK4 Q9HAZ1 2/20 0.75
DAPK3 O43293 1/20 0.75
MAP4K4 O95819 1/20 0.75
ABL1 P00519 1/20 0.75
PIM1 P11309 1/20 0.75
PRKACA P17612 1/20 0.75
LTK P29376 1/20 0.75
MAPK8 P45983 1/20 0.75
CSNK1A1 P48729 1/20 0.75
RPS6KA3 P51812 1/20 0.75
LIMK1 P53667 1/20 0.75
MAP2K1 Q02750 1/20 0.75
ACVR1 Q04771 1/20 0.75
TYRO3 Q06418 1/20 0.75
MAP4K2 Q12851 1/20 0.75

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
SCHEMBL29894633 1.00 ABCG2 (1.00) ABCG2GAAEGFRERBB2AURKB
SCHEMBL8920 0.86 EGFR (1.00) ABCG2GAAEGFRERBB2AURKB
SCHEMBL29941271 0.86 EGFR (1.00) ABCG2GAAEGFRERBB2AURKB
Hydrochloric Acid SCHEMBL8808235 0.85 EGFR (0.90) ABCG2GAAEGFRERBB2AURKB
Hydrochloric Acid SCHEMBL29394578 0.84 EGFR (0.96) ABCG2GAAEGFRERBB2AURKB
Hydrochloric Acid SCHEMBL20856873 0.84 EGFR (0.96) ABCG2GAAEGFRERBB2AURKB
SCHEMBL5569016 0.83 EGFR (0.75) ABCG2GAAEGFRERBB2AURKB
SCHEMBL5569376 0.83 EGFR (0.81) ABCG2GAAEGFRERBB2AURKB
SCHEMBL5569041 0.83 EGFR (0.75) ABCG2GAAEGFRERBB2AURKB
SCHEMBL14027230 0.83 EGFR (0.75) ABCG2GAAEGFRERBB2AURKB

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-115124507-B Quinazoline derivative, preparation method and application thereof 沈阳药科大学 2024-04-30 CN disclosed
CN-115124507-A Quinazoline derivative and preparation method and application thereof 沈阳药科大学 2022-09-30 CN disclosed
CN-111303055-B Quinazoline derivative and preparation method and application thereof 中国农业科学院兰州畜牧与兽药研究所 2021-12-24 CN disclosed
CN-111303055-A Quinazoline derivative and preparation method and application thereof 中国农业科学院兰州畜牧与兽药研究所 2020-06-19 CN disclosed
US-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
EP-0310155-A1 Heteroaryl substituted aminomethyl benzene derivatives, compositions and use THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-05 EP disclosed
EP-0114878-A4 PHTHALAZINE SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES, COMPOSITIONS AND USE. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-03-18 EP disclosed
US-4466965-A ANTIARRMYTHMIA AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1984-08-21 US disclosed
EP-0114878-A1 PHTHALAZINE SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES, COMPOSITIONS AND USE. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-08-08 EP disclosed
WO-1984000489-A1 HETEROARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES, COMPOSITIONS AND USE AMERICAN HOSPITAL SUPPLY CORP (US) 1984-02-16 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 (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-20070244136-A1 Quinazoline Derivatives ERBB2, ABL1, MKI67 ABCG2 341/4885GAA 2703/4885EGFR 10/4885

“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.