SCHEMBL3647397

SCHEMBL3647397

CC(=O)N1CC[C@H](Nc2nccc(-c3ccc4ccccc4c3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
MAPK10 P53779 14/20 0.51
DKK1 O94907 1/20 0.50
MAPK8 P45983 7/20 0.48
MAPK9 P45984 7/20 0.48
GSK3B P49841 4/20 0.48
CDK2 P24941 2/20 0.48
GSK3A P49840 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
MAPK1 P28482 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1G2 P78368 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48

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
SCHEMBL3645248 1.00 CYP11B2 (0.54) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3647400 1.00 CYP11B2 (0.54) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3647354 0.94 CYP11B2 (0.58) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3645036 0.91 HDAC8 (0.54) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3653485 0.91 HDAC8 (0.54) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3649854 0.90 MAPK10 (0.55) HDAC8MAPK10DKK1MAPK8MAPK9
SCHEMBL3653853 0.90 MAPK10 (0.55) HDAC8MAPK10DKK1MAPK8MAPK9
SCHEMBL3649382 0.89 HDAC8 (0.51) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3647439 0.89 HDAC8 (0.51) CYP11B2HDAC8MAPK10DKK1MAPK8
SCHEMBL3652656 0.88 HDAC8 (0.54) HDAC8MAPK10MAPK8MAPK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP claimed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CYP11B2 667/4885HDAC8 1830/4885MAPK10 1068/4885

“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.