SCHEMBL14489883

SCHEMBL14489883

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)OC)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.72
ERBB2 P04626 9/20 0.67
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
SRC P12931 1/20 0.61

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
SCHEMBL14489882 0.95 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL29623531 0.93 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL186199 0.93 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL12536476 0.93 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL14489878 0.92 EGFR (0.69) EGFRERBB2
SCHEMBL1446265 0.92 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL12743515 0.92 EGFR (0.68) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL14489874 0.91 EGFR (0.80) EGFRERBB2
SCHEMBL175261 0.91 EGFR (0.66) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL29623541 0.91 EGFR (0.66) EGFRERBB2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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 (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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EGFR 349/4885ERBB2 83/4885HDAC3 2498/4885

“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.