SCHEMBL4535159

SCHEMBL4535159

O[C@H]1CCCN([C@@H]2CCN(c3nccc(-c4ccc5ccccc5c4)n3)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.59
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FAAH O00519 5/20 0.40
PIK3CA P42336 1/20 0.38
GSK3B P49841 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
CCR4 P51679 1/20 0.35

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
SCHEMBL4526871 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL3642659 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL3649665 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL3652935 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL4536534 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL3642664 1.00 DKK1 (0.59) DKK1SPHK2SPHK1FAAHPIK3CA
SCHEMBL4522237 0.94 DKK1 (0.61) DKK1FAAHPIK3CAGSK3BNPC1
SCHEMBL4534498 0.94 DKK1 (0.61) DKK1FAAHPIK3CAGSK3BNPC1
SCHEMBL3691599 0.94 DKK1 (0.61) DKK1FAAHPIK3CAGSK3BNPC1
SCHEMBL4532392 0.94 DKK1 (0.61) DKK1FAAHPIK3CAGSK3BNPC1

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 9/4885SPHK2 1523/4885SPHK1 1427/4885

“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.