SCHEMBL5230878

SCHEMBL5230878

CC(=O)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.69
ERBB2 P04626 9/20 0.66
KDR P35968 6/20 0.66
EPHB4 P54760 5/20 0.66
EPHA2 P29317 4/20 0.66
FBP1 P09467 2/20 0.64
AURKA O14965 1/20 0.61
INSR P06213 1/20 0.61
PDGFRB P09619 1/20 0.61
FLT4 P35916 1/20 0.61
CLK1 P49759 1/20 0.61
TEK Q02763 1/20 0.61
AURKB Q96GD4 1/20 0.61
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59

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
SCHEMBL5228447 0.97 EGFR (0.67) EGFRERBB2KDREPHB4EPHA2
SCHEMBL18660020 0.88 EGFR (0.83) EGFRERBB2KDREPHB4FBP1
Hydrochloric Acid SCHEMBL7219208 0.88 KDR (0.69) EGFRERBB2KDREPHB4EPHA2
SCHEMBL3328655 0.86 EGFR (0.82) EGFRERBB2KDREPHB4FBP1
SCHEMBL30968994 0.86 EGFR (0.82) EGFRERBB2KDREPHB4FBP1
SCHEMBL4232249 0.86 EGFR (0.66) EGFRERBB2KDREPHB4EPHA2
SCHEMBL6992640 0.86 EGFR (0.69) EGFRERBB2KDREPHB4EPHA2
SCHEMBL6990297 0.86 EGFR (0.69) EGFRERBB2KDREPHB4EPHA2
SCHEMBL6989211 0.85 EGFR (0.68) EGFRERBB2KDREPHB4EPHA2
SCHEMBL5230552 0.85 EGFR (0.68) EGFRERBB2KDREPHB4EPHA2

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
EP-1315718-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2007-11-28 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
US-6617329-B2 Administering a therapeutically effective amount of aminoquinozoline compound to treat benign or malignant tumour, a disease of the respiratory tract or lungs, polyps, kidney or skin disease and a disease of gastrointestinal tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 US disclosed
EP-1315718-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
US-20020049197-A1 Aminoquinazolines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 US disclosed
WO-2002018372-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
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

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-20020049197-A1 Aminoquinazolines and their use as medicaments JAK1, ABL1, JAK2 EGFR 246/4885ERBB2 41/4885KDR 717/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885ERBB2 25/4885KDR 500/4885

“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.