SCHEMBL3650816

SCHEMBL3650816

CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
MAPK1 P28482 2/20 0.49
SYK P43405 1/20 0.49
ALDH1A1 P00352 2/20 0.48
DGAT1 O75907 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DYRK2 Q92630 1/20 0.47
ADORA2A P29274 1/20 0.47
USP30 Q70CQ3 2/20 0.47
PRMT5 O14744 1/20 0.46
IDH1 O75874 1/20 0.46
IDH2 P48735 1/20 0.46
IKBKB O14920 1/20 0.46
JUN P05412 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL3647344 0.94 USP30 (0.52) HDAC8MAPK1USP30IDH1MAPK8
SCHEMBL3654425 0.87 HDAC8 (0.43) HDAC8MAPK1SYKDGAT1DYRK2
SCHEMBL3645812 0.86 CYP11B2 (0.57) PRMT5DKK1
SCHEMBL3647354 0.86 CYP11B2 (0.58) HDAC8MAPK1DGAT1IKBKBJUN
SCHEMBL3653157 0.84 HDAC8 (0.55) HDAC8MAPK1DGAT1IKBKBJUN
SCHEMBL16538542 0.84 SYK (0.57) HDAC8MAPK1SYKALDH1A1DGAT1
SCHEMBL3652449 0.84 CYP11B2 (0.46) HDAC8MAPK1DGAT1PRMT5IKBKB
SCHEMBL3652907 0.83 HDAC8 (0.52) HDAC8MAPK1DGAT1IKBKBJUN
SCHEMBL3647575 0.83 MMP13 (0.44) HDAC8HTTDYRK2USP30DKK1
SCHEMBL3644560 0.83 HDAC8 (0.54) HDAC8DGAT1IKBKBJUNCDK2

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 HDAC8 1830/4885MAPK1 532/4885SYK 4127/4885

“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.