SCHEMBL5229002

SCHEMBL5229002

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCC(N2CCOC(=O)C2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.72
BRAF P15056 2/20 0.72
KDR P35968 2/20 0.72
CIT O14578 1/20 0.72
GAK O14976 1/20 0.72
EPHB6 O15197 1/20 0.72
ABCC4 O15439 1/20 0.72
DAPK3 O43293 1/20 0.72
RIPK2 O43353 1/20 0.72
NR1I2 O75469 1/20 0.72
RPS6KA4 O75676 1/20 0.72
STK17B O94768 1/20 0.72
STK10 O94804 1/20 0.72
PRKD3 O94806 1/20 0.72
ABCB11 O95342 1/20 0.72
MAP4K4 O95819 1/20 0.72
CHEK2 O96017 1/20 0.72
ABL1 P00519 1/20 0.72
ERBB2 P04626 1/20 0.72
LCK P06239 1/20 0.72

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
SCHEMBL5227742 1.00 EGFR (0.72) EGFRBRAFKDRCITGAK
SCHEMBL29623487 0.97 EGFR (0.71) EGFRBRAFKDRCITGAK
SCHEMBL175222 0.97 EGFR (0.71) EGFRBRAFKDRCITGAK
SCHEMBL5230874 0.97 EGFR (0.71) EGFRBRAFKDRCITGAK
SCHEMBL5229828 0.89 EGFR (0.68) EGFRBRAFKDRCITGAK
SCHEMBL5227362 0.89 EGFR (0.68) EGFRBRAFKDRCITGAK
SCHEMBL5225648 0.89 EGFR (0.60) EGFRBRAFKDRCITGAK
SCHEMBL5228566 0.89 EGFR (0.60) EGFRBRAFKDRCITGAK
SCHEMBL5228463 0.88 EGFR (0.68) EGFRBRAFKDRCITGAK
SCHEMBL5228090 0.88 EGFR (0.68) EGFRBRAFKDRCITGAK

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 246/4885BRAF 94/4885KDR 717/4885

“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.