SCHEMBL5226819

SCHEMBL5226819

CC(=O)Oc1cc2ncnc(Cl)c2cc1OCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.48
EPHA2 P29317 3/20 0.48
EPHB4 P54760 3/20 0.48
ENPP1 P22413 4/20 0.46
ERBB2 P04626 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
EGFR P00533 6/20 0.40
FGFR1 P11362 4/20 0.40
FLT1 P17948 4/20 0.40
FLT4 P35916 4/20 0.40
SCN9A Q15858 3/20 0.39
MAPK1 P28482 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL5231792 0.95 ENPP1 (0.48) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL5227290 0.87 KDR (0.44) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL6992109 0.85 EPHA2 (0.53) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL7218888 0.85 EPHA2 (0.53) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL1999978 0.84 ENPP1 (0.54) KDRENPP1EGFRFLT1
SCHEMBL4235751 0.84 EPHB4 (0.47) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL5230842 0.82 KDR (0.43) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL3239272 0.82 ENPP1 (0.68) ENPP1ERBB2EGFR
SCHEMBL16760390 0.79 ENPP1 (0.68) KDREPHA2EPHB4ENPP1ERBB2
SCHEMBL3427630 0.79 ENPP1 (0.63) KDRENPP1EGFRFLT1SRC

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 5 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
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

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.