Sugi Predict

Sugi Predict / Compounds / SCHEMBL1446464

SCHEMBL1446464

SCHEMBL1446464

O=C(N1CCOCC1)N1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.61
▸ ERBB2 P04626 3/20 0.56
▸ ERBB4 Q15303 3/20 0.56
▸ JAK3 P52333 1/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL16493945 0.91 EGFR (0.56) EGFRERBB2ERBB4JAK3HDAC3
SCHEMBL1446456 0.90 ERBB2 (0.59) EGFRERBB2ERBB4JAK3HDAC3
SCHEMBL1446347 0.90 EGFR (0.59) EGFRERBB2ERBB4JAK3
SCHEMBL1446577 0.88 EGFR (0.70) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL14489885 0.87 EGFR (0.63) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL12743377 0.87 EGFR (0.66) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1446214 0.87 EGFR (0.56) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL185479 0.87 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL29623589 0.87 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL14489887 0.87 EGFR (0.61) EGFRERBB2HDAC3HDAC4HDAC1

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 33 patents — showing the first 20. 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-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
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-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 — — US disclosed
EP-1667992-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 — — EP disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 — — US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 — — US disclosed
WO-2005028469-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 — — WO disclosed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 — — EP disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 — — US disclosed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 — — WO 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-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 EGFR 1254/4885ERBB2 1199/4885ERBB4 2522/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD EGFR 1233/4885ERBB2 1107/4885ERBB4 2422/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 EGFR 221/4885ERBB2 163/4885ERBB4 628/4885

“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.