SCHEMBL4428930

SCHEMBL4428930

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCNC(=O)N2CCOCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.70
EGFR P00533 17/20 0.68
BRAF P15056 2/20 0.65
RET P07949 2/20 0.65
ERBB4 Q15303 2/20 0.65
KDR P35968 2/20 0.65
EPHB4 P54760 2/20 0.65
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
EPHB6 O15197 1/20 0.65
ABCC4 O15439 1/20 0.65
DAPK3 O43293 1/20 0.65
RIPK2 O43353 1/20 0.65
NR1I2 O75469 1/20 0.65
RPS6KA4 O75676 1/20 0.65
STK17B O94768 1/20 0.65
STK10 O94804 1/20 0.65
PRKD3 O94806 1/20 0.65
ABCB11 O95342 1/20 0.65
MAP4K4 O95819 1/20 0.65

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
SCHEMBL4428969 0.96 ERBB2 (0.68) ERBB2EGFRBRAFRETERBB4
SCHEMBL4423919 0.91 ERBB2 (0.72) ERBB2EGFRBRAFRETERBB4
SCHEMBL29623446 0.90 ERBB2 (0.76) ERBB2EGFRRETERBB4KDR
SCHEMBL120193 0.90 ERBB2 (0.76) ERBB2EGFRRETERBB4KDR
SCHEMBL4415978 0.89 ERBB2 (0.70) ERBB2EGFRBRAFRETERBB4
SCHEMBL1446313 0.89 ERBB2 (0.78) ERBB2EGFRBRAFRETERBB4
SCHEMBL2780672 0.88 ERBB2 (0.67) ERBB2EGFRBRAFRETERBB4
SCHEMBL12743425 0.88 ERBB2 (0.77) ERBB2EGFR
SCHEMBL4422754 0.88 ERBB2 (0.77) ERBB2EGFRRETERBB4MST1R
SCHEMBL29623589 0.88 EGFR (0.74) ERBB2EGFRBRAFRETERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 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 (2 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-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 ERBB2 1199/4885EGFR 1254/4885BRAF 955/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ERBB2 1107/4885EGFR 1233/4885BRAF 911/4885

“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.