SCHEMBL4535225

SCHEMBL4535225

c1ccc2cc(-c3ccnc(N4CC5CNC[C@H]5C4)n3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.61
HCRTR1 O43613 13/20 0.47
HCRTR2 O43614 13/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
PDE10A Q9Y233 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL4535227 1.00 DKK1 (0.61) DKK1HCRTR1HCRTR2CHRNB2CHRNA7
SCHEMBL3649141 1.00 DKK1 (0.61) DKK1HCRTR1HCRTR2CHRNB2CHRNA7
SCHEMBL3649138 1.00 DKK1 (0.61) DKK1HCRTR1HCRTR2CHRNB2CHRNA7
SCHEMBL3697784 0.92 DKK1 (0.65) DKK1HCRTR1HCRTR2CHRNB2CHRNA7
SCHEMBL6924444 0.85 HCRTR1 (0.58) HCRTR1HCRTR2CHRNB2CHRNA7CHRNA4
SCHEMBL3653520 0.82 DKK1 (0.58) DKK1HCRTR1HCRTR2
SCHEMBL4529867 0.81 DKK1 (0.70) DKK1HCRTR1HCRTR2PDE10APIK3CA
SCHEMBL4529870 0.81 DKK1 (0.70) DKK1HCRTR1HCRTR2PDE10APIK3CA
SCHEMBL4529872 0.81 DKK1 (0.70) DKK1HCRTR1HCRTR2PDE10APIK3CA
SCHEMBL3652486 0.81 DKK1 (0.69) DKK1PIK3CA

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 1 patent. 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

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 9/4885HCRTR1 1120/4885HCRTR2 826/4885

“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.