SCHEMBL4529872

SCHEMBL4529872

NC1[C@H]2CN(c3nccc(-c4ccc5ccccc5c4)n3)C[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 4/20 0.70
DPP4 P27487 2/20 0.46
PDE10A Q9Y233 1/20 0.43
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
PIK3CA P42336 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4529870 1.00 DKK1 (0.70) DKK1DPP4PDE10AHCRTR1HCRTR2
SCHEMBL4529867 1.00 DKK1 (0.70) DKK1DPP4PDE10AHCRTR1HCRTR2
SCHEMBL3643372 0.84 DKK1 (0.78) DKK1DPP4PDE10AHCRTR1HCRTR2
SCHEMBL3648934 0.82 DKK1 (0.86) DKK1DPP4PIK3CA
SCHEMBL3652626 0.82 DKK1 (0.86) DKK1DPP4PIK3CA
SCHEMBL3648931 0.82 DKK1 (0.86) DKK1DPP4PIK3CA
SCHEMBL3644036 0.82 DKK1 (1.00) DKK1DPP4PIK3CAGSK3B
SCHEMBL3644447 0.81 DKK1 (0.68) DKK1DPP4PDE10AHCRTR1HCRTR2
SCHEMBL3649779 0.81 DKK1 (0.64) DKK1DPP4PDE10AHCRTR1HCRTR2
SCHEMBL4535227 0.81 DKK1 (0.61) DKK1PDE10AHCRTR1HCRTR2PIK3CA

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 9/4885DPP4 1128/4885PDE10A 1605/4885

“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.