SCHEMBL1714952

SCHEMBL1714952

O=C(NOCC1CCCC1)c1ccccc1NCc1ccnc(NC(=O)C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.50
KIT P10721 10/20 0.44
BRAF P15056 10/20 0.44
GSK3B P49841 5/20 0.43
GSK3A P49840 4/20 0.43
ACVRL1 P37023 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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 0.89 KIT (0.55) KITBRAFSIRT2
SCHEMBL1715546 0.89 KIT (0.46) KITBRAFSIRT2
SCHEMBL1715859 0.89 FLT1 (0.42) KITBRAFGSK3BGSK3ASIRT2
SCHEMBL1714564 0.88 KIT (0.46) KITBRAFSIRT2
SCHEMBL1715948 0.88 KIT (0.56) KITBRAFAURKASIRT2
SCHEMBL1715492 0.88 KIT (0.47) KITBRAFSIRT2
SCHEMBL1716018 0.88 KIT (0.46) KITBRAFAURKASIRT2
SCHEMBL1715311 0.88 TP53 (0.45) KITBRAFSIRT2
SCHEMBL1715720 0.87 KIT (0.45) KITBRAFSIRT2
SCHEMBL1715657 0.87 KIT (0.48) KITBRAFSIRT2

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 20 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
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
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-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20100099710-A1 SRC FAMILY KINASE INHIBITORS JENSEN LENE 2010-04-22 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US 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 PIK3C3 412/4885KIT 435/4885BRAF 258/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 PIK3C3 4765/4885KIT 406/4885BRAF 1422/4885

“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.