SCHEMBL2854474

SCHEMBL2854474

Cc1cc(Nc2ccccc2)ccc1C(=O)c1cc(-n2cc(CCO)nn2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 10/20 0.53
F9 P00740 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MIF P14174 2/20 0.43
NOTUM Q6P988 2/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA12 O43570 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL2853567 0.93 NOTUM (0.51) DDX3XF9MIFNOTUMCA1
SCHEMBL13513478 0.91 DDX3X (0.48) DDX3XF9MAPK13MAPK12MAPK11
SCHEMBL2852017 0.90 DDX3X (0.49) DDX3XF9NOTUMAURKAAURKB
SCHEMBL2855204 0.90 DDX3X (0.47) DDX3XF9NOTUMAURKAAURKB
SCHEMBL2859489 0.89 DDX3X (0.47) DDX3XF9NOTUMCA1CA2
SCHEMBL2852561 0.89 NOTUM (0.48) DDX3XF9MAPK13MAPK12MAPK11
SCHEMBL2856650 0.89 NOTUM (0.47) DDX3XNOTUMAURKAAURKB
SCHEMBL2857109 0.89 NOTUM (0.47) DDX3XF9NOTUMCA1CA2
SCHEMBL13513556 0.89 DDX3X (0.48) DDX3XF9MIFNOTUMCA1
SCHEMBL27690767 0.88 DDX3X (0.45) DDX3XF9NOTUMCA1CA2

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 DDX3X 3101/4885F9 3984/4885MAPK13 1436/4885

“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.