SCHEMBL2856650

SCHEMBL2856650

Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)c1cc(-n2cc(CCO)nn2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
DDX3X O00571 3/20 0.46
AURKA O14965 8/20 0.45
DDT P30046 2/20 0.44
AURKB Q96GD4 3/20 0.44
KCNH2 Q12809 1/20 0.41
RXRA P19793 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 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
SCHEMBL2854474 0.89 DDX3X (0.53) NOTUMDDX3XAURKAAURKB
SCHEMBL2853567 0.87 NOTUM (0.51) NOTUMDDX3XKCNH2
SCHEMBL13513478 0.87 DDX3X (0.48) NOTUMDDX3XAURKAAURKB
SCHEMBL2855204 0.86 DDX3X (0.47) NOTUMDDX3XAURKAAURKBRXRA
SCHEMBL2852017 0.86 DDX3X (0.49) NOTUMDDX3XAURKAAURKB
SCHEMBL2853615 0.86 NOTUM (0.50) NOTUMDDX3XDDTKCNH2
SCHEMBL2859489 0.85 DDX3X (0.47) NOTUMDDX3XKCNH2RXRAGRIN1
SCHEMBL2857109 0.85 NOTUM (0.47) NOTUMDDX3X
SCHEMBL27690767 0.84 DDX3X (0.45) NOTUMDDX3X
SCHEMBL2852561 0.83 NOTUM (0.48) NOTUMDDX3XKCNH2

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 12 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
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
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 NOTUM 3513/4885DDX3X 3101/4885AURKA 164/4885

“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.