SCHEMBL4602676

SCHEMBL4602676

CN(C)CCCCC(NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.46
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSS P25774 3/20 0.44
F10 P00742 1/20 0.41
JAK3 P52333 1/20 0.39
BTK Q06187 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
SCHEMBL4602679 1.00 CTSK (0.46) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4768423 0.96 CTSK (0.47) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4768417 0.96 CTSK (0.47) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4635675 0.90 CTSK (0.43) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4635668 0.90 CTSK (0.43) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL1411658 0.87 CTSK (0.48) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL21571253 0.87 CTSK (0.48) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL3004548 0.87 CTSK (0.48) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4632323 0.86 CTSK (0.46) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4632325 0.86 CTSK (0.46) CTSKHDAC4HDAC1HDAC6CTSS

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
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US 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

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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 CTSK 1839/4885HDAC4 915/4885HDAC1 353/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 CTSK 1836/4885HDAC4 676/4885HDAC1 232/4885

“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.