SCHEMBL6993266

SCHEMBL6993266

C[C@H](O)CN(CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1)CC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.55
KDR P35968 2/20 0.55
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
ERBB2 P04626 4/20 0.52
EPHA2 P29317 1/20 0.51
EPHB4 P54760 1/20 0.51

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
SCHEMBL7219647 1.00 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7225222 1.00 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6987321 1.00 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7094164 0.97 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7089378 0.97 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7221310 0.97 EGFR (0.55) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6991903 0.91 EGFR (0.67) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6989703 0.91 EGFR (0.67) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6994579 0.91 EGFR (0.54) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7225264 0.91 EGFR (0.54) EGFRKDRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885KDR 500/4885HDAC3 4548/4885

“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.