SCHEMBL30513

SCHEMBL30513

Nc1ccc2ncnc(Nc3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
ERBB2 P04626 4/20 0.72
MAPK1 P28482 2/20 0.70
KDM4E B2RXH2 1/20 0.70
HTT P42858 1/20 0.70
DAPK3 O43293 1/20 0.68
MAP4K4 O95819 1/20 0.68
ABL1 P00519 1/20 0.68
PIM1 P11309 1/20 0.68
PRKACA P17612 1/20 0.68
LTK P29376 1/20 0.68
MAPK8 P45983 1/20 0.68
CSNK1A1 P48729 1/20 0.68
RPS6KA3 P51812 1/20 0.68
LIMK1 P53667 1/20 0.68
MAP2K1 Q02750 1/20 0.68
ACVR1 Q04771 1/20 0.68
TYRO3 Q06418 1/20 0.68
MAP4K2 Q12851 1/20 0.68
ROCK1 Q13464 1/20 0.68

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
SCHEMBL29690398 1.00 EGFR (1.00) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL2103341 0.90 EGFR (0.82) EGFRERBB2KDM4ELMNA
SCHEMBL15051638 0.88 EGFR (0.78) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL7234980 0.87 EGFR (0.77) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL18996629 0.87 EGFR (1.00) EGFRERBB2MAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL7240600 0.86 EGFR (0.75) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL4586685 0.86 EGFR (0.75) EGFRERBB2KDM4ELMNA
SCHEMBL2987637 0.85 EGFR (0.73) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL27685863 0.84 EGFR (0.73) EGFRERBB2MAPK1KDM4EHTT
SCHEMBL27923391 0.84 EGFR (0.73) EGFRERBB2CLK4RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP claimed
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP claimed
EP-1411993-A4 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2007-08-01 EP claimed
US-7172749-B2 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-02-06 US claimed
EP-1673110-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-28 EP claimed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 US claimed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP claimed
WO-2005023315-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-03-17 WO claimed
US-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2004-12-30 US claimed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 WO claimed
EP-1411993-A2 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-04-28 EP claimed
US-6562319-B2 4-(phenylamino)quinazolines YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-05-13 US claimed
WO-2002073235-A2 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-09-19 WO claimed
US-20020128553-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. 2002-09-12 US claimed
CN-109942500-B Preparation of rhein anilino quinazoline derivatives and anti-tumor application 广西医科大学 2022-06-10 CN disclosed
CN-105753793-B Fragrant formyl urea coupling quinazoline compounds and preparation method thereof, pharmaceutical composition and medicinal usage 河北医科大学 2018-09-04 CN disclosed
WO-2017008757-A1 1-SUBSTITUTED PHENYL-3-(4-SUBSTITUTED PHENYLAMINO-6-QUINAZOLINYL)UREA COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 西安交通大学 2017-01-19 WO disclosed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
CN-1161330-A Substd. quinazoline derivatives AMERICAN CYANAMID CO (US) 1997-10-08 CN disclosed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP 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-20020128553-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885MAPK1 587/4885
US-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885MAPK1 587/4885
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885MAPK1 631/4885

“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.