SCHEMBL5227237

SCHEMBL5227237

Oc1cc2ncnc(O)c2cc1OCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
EPHA2 P29317 3/20 0.42
EPHB4 P54760 3/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
PDE4A P27815 1/20 0.38
PDE4D Q08499 1/20 0.38
EGFR P00533 7/20 0.37
FGFR1 P11362 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
ERBB2 P04626 1/20 0.37
ENPP1 P22413 3/20 0.36
CGAS Q8N884 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5230566 0.94 PDE4A (0.41) KDREPHA2EPHB4IRAK4PDE4A
SCHEMBL5227290 0.81 KDR (0.44) KDREPHA2EPHB4IRAK4EGFR
SCHEMBL3428791 0.81 EGFR (0.51) KDREPHA2EPHB4IRAK4EGFR
SCHEMBL7225154 0.81 RET (0.50) KDREPHA2EPHB4IRAK4EGFR
SCHEMBL5232550 0.80 KDR (0.41) KDREPHA2EPHB4EGFRRET
SCHEMBL5230842 0.76 KDR (0.43) KDREPHA2EPHB4IRAK4EGFR
SCHEMBL21473570 0.74 EGFR (0.61) KDREPHA2EPHB4IRAK4EGFR
SCHEMBL5230914 0.73 EGFR (0.66) KDREPHA2EPHB4EGFRFLT4
SCHEMBL7802744 0.72 EGFR (0.53) KDRIRAK4EGFRRETKIF5B
SCHEMBL6988100 0.71 EGFR (0.53) KDRIRAK4EGFRERBB2

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-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
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

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 KDR 717/4885EPHA2 1601/4885EPHB4 3011/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 KDR 500/4885EPHA2 1142/4885EPHB4 1814/4885

“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.