SCHEMBL4535467

SCHEMBL4535467

CCN1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.53
HDAC8 Q9BY41 1/20 0.49
DKK1 O94907 3/20 0.47
MAPK10 P53779 6/20 0.46
CDK2 P24941 2/20 0.45
JUN P05412 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CCNA2 P20248 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
RET P07949 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL4529873 0.85 IKBKB (0.54) IKBKBHDAC8DKK1MAPK10RET
SCHEMBL3646526 0.85 DKK1 (0.54) HDAC8DKK1CDK2RETIRAK4
SCHEMBL3643870 0.83 MAPK10 (0.58) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3649842 0.83 MAPK8 (0.67) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3647354 0.83 CYP11B2 (0.58) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3651275 0.83 IKBKB (0.72) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3648299 0.82 MAPK10 (0.60) IKBKBHDAC8MAPK10CDK2MAPK8
SCHEMBL3650663 0.82 JUN (0.50) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3653157 0.81 HDAC8 (0.55) IKBKBHDAC8DKK1MAPK10CDK2
SCHEMBL3644540 0.80 IKBKB (0.67) IKBKBHDAC8DKK1MAPK10CDK2

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 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 IKBKB 1022/4885HDAC8 1830/4885DKK1 9/4885

“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.