SCHEMBL2852017

SCHEMBL2852017

CC(=O)Nc1cccc(Nc2ccc(C(=O)c3cc(-n4cc(CCO)nn4)ccc3C)c(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 14/20 0.49
AURKA O14965 3/20 0.40
AURKB Q96GD4 3/20 0.40
NOTUM Q6P988 1/20 0.40
F9 P00740 1/20 0.39
PIP4K2A P48426 1/20 0.39
PIK3CG P48736 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
SCHEMBL2855204 0.91 DDX3X (0.47) DDX3XAURKAAURKBNOTUMF9
SCHEMBL2854474 0.90 DDX3X (0.53) DDX3XAURKAAURKBNOTUMF9
SCHEMBL2853567 0.89 NOTUM (0.51) DDX3XNOTUMF9
SCHEMBL13513478 0.89 DDX3X (0.48) DDX3XAURKAAURKBNOTUMF9
SCHEMBL2856650 0.86 NOTUM (0.47) DDX3XAURKAAURKBNOTUM
SCHEMBL2857109 0.86 NOTUM (0.47) DDX3XNOTUMF9
SCHEMBL27690767 0.85 DDX3X (0.45) DDX3XNOTUMF9
SCHEMBL2859489 0.85 DDX3X (0.47) DDX3XNOTUMF9
SCHEMBL2852561 0.85 NOTUM (0.48) DDX3XNOTUMF9
SCHEMBL27886733 0.84 DDX3X (0.44) DDX3XAURKAAURKBNOTUMF9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115728-B Triazole substituted aminobenzophenone compounds LEO PHARMA AS 2012-12-19 CN claimed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP claimed
CN-101115728-A Triazole substituted aminobenzophenone compounds LEO PHARMA AS (DK) 2008-01-30 CN claimed
EP-1828148-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2007-09-05 EP claimed
WO-2006063585-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-22 WO claimed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 US claimed
CN-101115728-B Triazole substituted aminobenzophenone compounds LEO PHARMA AS 2012-12-19 CN disclosed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed
CN-101115728-A Triazole substituted aminobenzophenone compounds LEO PHARMA AS (DK) 2008-01-30 CN disclosed
EP-1828148-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2007-09-05 EP disclosed
WO-2006063585-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-22 WO disclosed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 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-20060128766-A1 Triazole substituted aminobenzophenone compounds NFKBIA, UACA, CYP1B1 DDX3X 3101/4885AURKA 164/4885AURKB 12/4885

“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.