Sugi Predict

Sugi Predict / Compounds / SCHEMBL4879883

SCHEMBL4879883

SCHEMBL4879883

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CC(=O)N2CCCC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 10/20 0.81
▸ EGFR P00533 14/20 0.72
▸ EPHB4 P54760 3/20 0.61
▸ EPHA2 P29317 2/20 0.61
▸ GAK O14976 1/20 0.61
▸ RIPK2 O43353 1/20 0.61
▸ LYN P07948 1/20 0.61
▸ RET P07949 1/20 0.61
▸ EPHA1 P21709 1/20 0.61
▸ ERBB3 P21860 1/20 0.61
▸ EPHB2 P29323 1/20 0.61
▸ EPHA5 P54756 1/20 0.61
▸ EPHA4 P54764 1/20 0.61
▸ ADK P55263 1/20 0.61
▸ PTK6 Q13882 1/20 0.61
▸ RIPK3 Q9Y572 1/20 0.61
▸ KDR P35968 2/20 0.60
▸ AURKA O14965 1/20 0.60
▸ INSR P06213 1/20 0.60
▸ FBP1 P09467 1/20 0.60

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
SCHEMBL1446313 0.94 ERBB2 (0.78) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL1446536 0.92 ERBB2 (0.76) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL24637510 0.91 ERBB2 (0.86) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL185530 0.90 ERBB2 (0.84) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL29623469 0.90 ERBB2 (0.84) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL1920505 0.90 ERBB2 (0.75) ERBB2EGFRGAKRIPK2RIPK3
SCHEMBL1447161 0.90 EGFR (0.78) ERBB2EGFREPHB4EPHA2KDR
SCHEMBL4885366 0.90 ERBB2 (1.00) ERBB2EGFREPHB4EPHA2GAK
SCHEMBL1943054 0.89 EGFR (0.77) ERBB2EGFREPHB4KDRAURKA
SCHEMBL1446357 0.89 EGFR (0.77) ERBB2EGFREPHB4KDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 — — US claimed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 — — US claimed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 — — EP claimed
EP-1667992-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 — — EP claimed
WO-2005028469-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 — — WO claimed
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
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 — — US disclosed
US-8318752-B2 antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases ASTRAZENECA AB (SE) 2012-11-27 — — 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-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
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 — — EP 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
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 — — 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 (4 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-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885EPHB4 1171/4885
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 1254/4885EPHB4 3158/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD ERBB2 1107/4885EGFR 1233/4885EPHB4 3027/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885EPHB4 1101/4885

“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.