SCHEMBL1383950

SCHEMBL1383950

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN(C)C1COC(=O)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.70
▸ KDR P35968 2/20 0.66
▸ ERBB2 P04626 3/20 0.61
▸ AURKA O14965 1/20 0.61
▸ INSR P06213 1/20 0.61
▸ FBP1 P09467 1/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ FLT4 P35916 1/20 0.61
▸ CLK1 P49759 1/20 0.61
▸ EPHB4 P54760 1/20 0.61
▸ TEK Q02763 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ HDAC3 O15379 1/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC10 Q969S8 1/20 0.60
▸ HDAC11 Q96DB2 1/20 0.60
▸ HDAC8 Q9BY41 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
SCHEMBL1384673 1.00 EGFR (0.70) EGFRKDRERBB2AURKAINSR
SCHEMBL6989473 0.92 EGFR (0.58) EGFRKDRERBB2FBP1EPHB4
SCHEMBL6995705 0.91 EGFR (0.57) EGFRKDRERBB2AURKAINSR
SCHEMBL1386754 0.91 EGFR (0.57) EGFRKDRERBB2FBP1EPHB4
SCHEMBL4220580 0.91 EGFR (0.57) EGFRKDRERBB2FBP1EPHB4
SCHEMBL4225530 0.91 EGFR (0.57) EGFRKDRERBB2FBP1EPHB4
SCHEMBL4226627 0.91 EGFR (0.57) EGFRKDRERBB2FBP1EPHB4
SCHEMBL7688337 0.88 EGFR (0.54) EGFRKDRFBP1
SCHEMBL6991313 0.87 EGFR (0.57) EGFRKDRERBB2AURKAINSR
SCHEMBL6988430 0.87 EGFR (0.57) EGFRKDRERBB2FBP1EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4834282-B2 — — 2011-12-14 — — JP claimed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 — — EP claimed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 — — US claimed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 — — WO claimed
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 — — US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 — — US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — EP disclosed
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 — — US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 — — EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 — — US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 — — US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 — — WO disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 — — EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 — — 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 (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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885ERBB2 3690/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885ERBB2 3690/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885KDR 4070/4885ERBB2 2817/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885KDR 500/4885ERBB2 25/4885

“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.

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