SCHEMBL5425627

SCHEMBL5425627

O=C(CP(=O)(O)O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 4/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
RIPK2 O43353 1/20 0.70
STK10 O94804 1/20 0.70
ABL1 P00519 1/20 0.70
LCK P06239 1/20 0.70
LYN P07948 1/20 0.70
RET P07949 1/20 0.70
CHRM2 P08172 1/20 0.70
MET P08581 1/20 0.70
HCK P08631 1/20 0.70
SRC P12931 1/20 0.70
PHKG2 P15735 1/20 0.70
ADRA2B P18089 1/20 0.70
ERBB3 P21860 1/20 0.70
AXL P30530 1/20 0.70
CCKAR P32238 1/20 0.70

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
SCHEMBL4060171 1.00 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL29043124 0.91 EGFR (0.73) EGFRERBB2CITGAKEPHB6
SCHEMBL2072074 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL29779503 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL436189 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL436188 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL29838794 0.91 EGFR (0.75) EGFRERBB2CITGAKEPHB6
SCHEMBL28415394 0.88 EGFR (0.82) EGFRERBB2CITGAKEPHB6
SCHEMBL28415396 0.88 EGFR (0.82) EGFRERBB2CITGAKEPHB6
SCHEMBL1364362 0.87 EGFR (0.72) EGFRERBB2CITGAKEPHB6

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
EP-3567038-B1 PROCESS FOR THE PREPARATION OF QUINAZOLINYL DERIVATIVES HETERO LABS LTD (IN) 2022-08-10 EP disclosed
EP-3567038-A1 PROCESS FOR THE PREPARATION OF QUINAZOLINYL DERIVATIVES Hetero Labs Ltd. (IN) 2019-11-13 EP disclosed
US-10329281-B2 Polymorphs and process for the preparation of quinazolinyl derivatives HETERO LABS LTD (IN) 2019-06-25 US disclosed
US-20180194754-A1 Polymorphs and Process for the Preparation of Quinazolinyl Derivatives HETERO LABS LTD (IN) 2018-07-12 US disclosed
EP-3283485-A2 POLYMORPHS OF AFATINIB AND ITS SALTS AND PROCESS FOR THE PREPARATION OF QUINAZOLINYL DERIVATIVES Hetero Labs Ltd. (IN) 2018-02-21 EP disclosed
EP-3089976-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE Teva Pharmaceuticals International GmbH (CH) 2016-11-09 EP disclosed
WO-2016166720-A2 POLYMORPHS AND PROCESS FOR THE PREPARATION OF QUINAZOLINYL DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2016-10-20 WO disclosed
US-20150232457-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE RATIOPHARM GMBH (DE) 2015-08-20 US disclosed
WO-2015103456-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-07-09 WO disclosed
US-8426586-B2 Using a acyl bromine compound; activation with phosphonacetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20070027170-A1 Process for preparing amino crotonyl compounds SOYKA RAINER 2007-02-01 US disclosed
US-20050085495-A1 Process for preparing amino crotonyl compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US 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 (5 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-20070027170-A1 Process for preparing amino crotonyl compounds CROCC, CMA1, IL4I1 EGFR 3654/4885ERBB2 3381/4885CIT 2532/4885
US-20180194754-A1 Polymorphs and Process for the Preparation of Quinazolinyl Derivatives CYP3A4, CYP3A43, CYP2C19 EGFR 4596/4885ERBB2 4252/4885CIT 2050/4885
US-10329281-B2 Polymorphs and process for the preparation of quinazolinyl derivatives CYP3A4, CYP3A43, CYP2C19 EGFR 4596/4885ERBB2 4252/4885CIT 2050/4885
US-20150232457-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE CDC73, ABL1, MLLT3 EGFR 110/4885ERBB2 84/4885CIT 109/4885
US-20050085495-A1 Process for preparing amino crotonyl compounds INMT, IL4I1, HNMT EGFR 4428/4885ERBB2 3922/4885CIT 244/4885

“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.