SCHEMBL1716018

SCHEMBL1716018

CC(C)NC(=O)Nc1cc(CNc2ccccc2C(=O)NOCC2CCCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.46
BRAF P15056 12/20 0.46
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPK1 P28482 4/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK8 P45983 1/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL1714745 0.91 KIT (0.55) KITBRAFMAPK8SIRT2
SCHEMBL1715948 0.90 KIT (0.56) KITBRAFADRA1DADRA1AADRA1B
SCHEMBL1715720 0.89 KIT (0.45) KITBRAFMAPK8SIRT2
SCHEMBL1714904 0.88 KIT (0.49) KITBRAFADRA1DADRA1AADRA1B
SCHEMBL1715311 0.88 TP53 (0.45) KITBRAFMAPK8SIRT2
SCHEMBL1714952 0.88 PIK3C3 (0.50) KITBRAFAURKASIRT2
SCHEMBL1715012 0.87 KIT (0.46) KITBRAFMAPK8SIRT2
SCHEMBL1715657 0.87 KIT (0.48) KITBRAFMAPK1MAPK8SIRT2
SCHEMBL1715546 0.87 KIT (0.46) KITBRAFMAPK8SIRT2
SCHEMBL1714564 0.86 KIT (0.46) KITBRAFMAPK8SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed
US-20100099710-A1 SRC FAMILY KINASE INHIBITORS JENSEN LENE 2010-04-22 US claimed
EP-2146703-A1 SRC FAMILY KINASE INHIBITORS Leo Pharma A/S (DK) 2010-01-27 EP claimed
WO-2008128538-A1 SRC FAMILY KINASE INHIBITORS LEO PHARMA A/S (DK) 2008-10-30 WO claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
EP-2146703-A1 SRC FAMILY KINASE INHIBITORS Leo Pharma A/S (DK) 2010-01-27 EP disclosed
WO-2008128538-A1 SRC FAMILY KINASE INHIBITORS LEO PHARMA A/S (DK) 2008-10-30 WO disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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 (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-20100099710-A1 SRC FAMILY KINASE INHIBITORS SRC, FYN, LYN KIT 435/4885BRAF 258/4885ADRA1D 1900/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KIT 406/4885BRAF 1422/4885ADRA1D 2077/4885

“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.