SCHEMBL3653157

SCHEMBL3653157

NC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
MAPK10 P53779 4/20 0.50
IKBKB O14920 3/20 0.50
DKK1 O94907 4/20 0.48
JUN P05412 4/20 0.48
MAPK8 P45983 4/20 0.48
MAPK9 P45984 4/20 0.48
CDK2 P24941 3/20 0.48
AURKA O14965 2/20 0.47
TTK P33981 2/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
CYP11B2 P19099 1/20 0.46
GSK3B P49841 2/20 0.46
DGAT1 O75907 1/20 0.45
CCNA2 P20248 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3649854 0.94 MAPK10 (0.55) HDAC8MAPK10IKBKBDKK1MAPK8
SCHEMBL3653853 0.94 MAPK10 (0.55) HDAC8MAPK10IKBKBDKK1MAPK8
SCHEMBL3647354 0.89 CYP11B2 (0.58) HDAC8MAPK10IKBKBDKK1JUN
SCHEMBL3644560 0.88 HDAC8 (0.54) HDAC8MAPK10IKBKBDKK1JUN
SCHEMBL3652017 0.88 HDAC8 (0.55) HDAC8MAPK10IKBKBDKK1JUN
SCHEMBL3652907 0.87 HDAC8 (0.52) HDAC8MAPK10IKBKBDKK1JUN
SCHEMBL3653485 0.86 HDAC8 (0.54) HDAC8MAPK10DKK1MAPK8MAPK9
SCHEMBL3645036 0.86 HDAC8 (0.54) HDAC8MAPK10DKK1MAPK8MAPK9
SCHEMBL3653486 0.86 HDAC8 (0.51) HDAC8MAPK10IKBKBJUNMAPK8
SCHEMBL3647400 0.85 CYP11B2 (0.54) HDAC8MAPK10IKBKBDKK1JUN

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 8 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-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
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
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 disclosed
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 disclosed
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 disclosed
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 HDAC8 1830/4885MAPK10 1068/4885IKBKB 1022/4885

“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.