SCHEMBL4522804

SCHEMBL4522804

CC(=O)N1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.60
ACHE P22303 4/20 0.48
DGAT1 O75907 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
FAAH O00519 2/20 0.46
PKM P14618 1/20 0.45
SLC6A7 Q99884 1/20 0.45
PDE10A Q9Y233 1/20 0.44
CA9 Q16790 1/20 0.44
GBA1 P04062 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL4535156 0.89 DKK1 (0.60) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL4532828 0.89 DKK1 (0.55) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL3651342 0.89 DKK1 (0.57) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL4537288 0.89 DKK1 (0.57) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL3653482 0.87 PKM (0.61) DKK1PKMSLC6A7GBA1
SCHEMBL4534319 0.87 DKK1 (0.55) DKK1FAAHSLC6A7CA9
SCHEMBL3698714 0.86 DKK1 (0.54) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL3644943 0.86 DKK1 (0.74) DKK1CDK2CYP11B2
SCHEMBL4536981 0.86 DKK1 (0.55) DKK1DGAT1HCAR2FAAHPKM
SCHEMBL4538921 0.86 DKK1 (0.59) DKK1DGAT1HCAR2FAAHCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DKK1 9/4885ACHE 3927/4885DGAT1 2165/4885

“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.