SCHEMBL5482883

SCHEMBL5482883

COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 1.00
KDR P35968 6/20 0.77
RET P07949 4/20 0.77
SRC P12931 3/20 0.77
MAPT P10636 4/20 0.75
KDM4E B2RXH2 3/20 0.75
MAPK1 P28482 3/20 0.75
MAPK14 Q16539 3/20 0.75
FBP1 P09467 3/20 0.75
EPHB2 P29323 2/20 0.75
ABL1 P00519 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
MKNK1 Q9BUB5 2/20 0.75
ERBB2 P04626 2/20 0.75
MAPK13 O15264 2/20 0.75
MAPK12 P53778 2/20 0.75
MAPK11 Q15759 2/20 0.75
ABCG2 Q9UNQ0 2/20 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
SCHEMBL31060707 1.00 EGFR (1.00) EGFRKDRRETSRCMAPT
Hydrochloric Acid SCHEMBL5478587 0.99 EGFR (0.97) EGFRKDRRETSRCMAPT
SCHEMBL8871277 0.92 EGFR (0.84) EGFRKDRRETSRCMAPT
SCHEMBL2099775 0.91 EGFR (0.83) EGFRKDRRETSRCMAPT
SCHEMBL2100551 0.90 EGFR (0.82) EGFRKDRRETSRCMAPT
SCHEMBL1418218 0.90 EGFR (0.82) EGFRKDRRETSRCMAPT
SCHEMBL2102382 0.90 EGFR (0.82) EGFRKDRRETSRCMAPT
SCHEMBL8870651 0.90 EGFR (0.81) EGFRKDRRETSRCMAPT
SCHEMBL2101009 0.90 EGFR (0.81) EGFRKDRRETSRCMAPT
SCHEMBL8870965 0.90 EGFR (0.81) EGFRKDRRETSRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513267-B2 4-anilinoquinazoline derivatives with adenosine-kinase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2013-08-20 US disclosed
US-8309133-B2 Nanoparticulate quinazoline derivative formulations ALKERMES PHARMA IRELAND LIMITED (IE) 2012-11-13 US disclosed
US-8309133-B2 Nanoparticulate quinazoline derivative formulations ALKERMES PHARMA IRELAND LIMITED (IE) 2012-11-13 US disclosed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP disclosed
US-20100292209-A1 METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE NEUROTROPHIC FACTOR SIGNALING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-11-18 US disclosed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 US disclosed
EP-0907885-B1 METHOD OF COMPARATIVE SCREENING OF PHARMACOLOGICALLY ACTIVE SUBSTANCES BOEHRINGER INGELHEIM INT (DE) 2003-09-03 EP disclosed
EP-0816848-A1 Method for comparative screening of substances with pharmacological activity BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1998-01-07 EP 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

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-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties ADK, AK1, ADORA3 EGFR 3142/4885KDR 1289/4885RET 3198/4885

“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.