SCHEMBL4535167

SCHEMBL4535167

c1ccc2cc(-c3ccnc(N4CC[C@H](N5CCCCCC5)C4)n3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.65
HRH3 Q9Y5N1 6/20 0.41
FAAH O00519 4/20 0.41
RAD52 P43351 1/20 0.40
KCNH2 Q12809 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
PIK3CA P42336 1/20 0.38

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
SCHEMBL4540992 1.00 DKK1 (0.65) DKK1HRH3FAAHRAD52KCNH2
SCHEMBL3645499 1.00 DKK1 (0.65) DKK1HRH3FAAHRAD52KCNH2
SCHEMBL3645495 1.00 DKK1 (0.65) DKK1HRH3FAAHRAD52KCNH2
SCHEMBL3652034 1.00 DKK1 (0.65) DKK1HRH3FAAHRAD52KCNH2
SCHEMBL3645336 0.99 DKK1 (0.66) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4538908 0.99 DKK1 (0.66) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4540878 0.99 DKK1 (0.66) DKK1HRH3FAAHRAD52JAK2
SCHEMBL4537787 0.94 DKK1 (0.60) DKK1HRH3FAAHRAD52
SCHEMBL3648064 0.90 DKK1 (0.64) DKK1FAAHPIK3CA
SCHEMBL4532479 0.90 DKK1 (0.64) DKK1FAAHPIK3CA

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 9/4885HRH3 3526/4885FAAH 4382/4885

“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.