SCHEMBL4602452

SCHEMBL4602452

CC(C)[C@H](Nc1nc(CN(Cc2ccccc2)Cc2ccccc2)nc2ccccc12)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
CCR4 P51679 3/20 0.46
BCHE P06276 2/20 0.46
CFD P00746 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 4/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL4602450 1.00 ACHE (0.47) ACHECCR4BCHECFDALDH1A1
SCHEMBL14596234 0.88 CCR4 (0.45) ACHECCR4BCHECFDALDH1A1
SCHEMBL4602032 0.86 CFD (0.47) ACHECCR4BCHECFDALDH1A1
SCHEMBL4602035 0.86 CFD (0.47) ACHECCR4BCHECFDALDH1A1
SCHEMBL4602573 0.85 ACHE (0.44) ACHECCR4BCHECFDALDH1A1
SCHEMBL4602578 0.85 ACHE (0.44) ACHECCR4BCHECFDALDH1A1
SCHEMBL14595952 0.84 ACHE (0.51) ACHECCR4BCHECFDALDH1A1
SCHEMBL14596333 0.84 ACHE (0.46) ACHECCR4BCHECFDALDH1A1
SCHEMBL14595979 0.83 ACHE (0.46) ACHECCR4BCHECFDALDH1A1
SCHEMBL14595813 0.83 ACHE (0.49) ACHECCR4BCHECFDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 ACHE 4163/4885CCR4 3661/4885BCHE 3910/4885

“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.