SCHEMBL3772849

SCHEMBL3772849

O=C(NC1CCCCC1)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.54
HDAC8 Q9BY41 1/20 0.51
MAPK10 P53779 9/20 0.50
JUN P05412 4/20 0.49
MAPK8 P45983 4/20 0.49
MAPK9 P45984 4/20 0.49
CDK2 P24941 2/20 0.49
SMO Q99835 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
IKBKB O14920 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
SCHEMBL3650442 0.87 CYP11B2 (0.55) DGAT1HDAC8CDK2SMO
SCHEMBL3647557 0.86 MAPK10 (0.55) DGAT1HDAC8MAPK10JUNMAPK8
SCHEMBL3644560 0.86 HDAC8 (0.54) DGAT1HDAC8MAPK10JUNMAPK8
SCHEMBL3648299 0.85 MAPK10 (0.60) HDAC8MAPK10MAPK8MAPK9CDK2
SCHEMBL3647354 0.85 CYP11B2 (0.58) DGAT1HDAC8MAPK10JUNMAPK8
SCHEMBL3653157 0.85 HDAC8 (0.55) DGAT1HDAC8MAPK10JUNMAPK8
SCHEMBL3649842 0.85 MAPK8 (0.67) DGAT1HDAC8MAPK10JUNMAPK8
SCHEMBL3643870 0.84 MAPK10 (0.58) HDAC8MAPK10MAPK8MAPK9CDK2
SCHEMBL3652017 0.83 HDAC8 (0.55) HDAC8MAPK10JUNMAPK8MAPK9
SCHEMBL3652907 0.82 HDAC8 (0.52) DGAT1HDAC8MAPK10JUNMAPK8

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 5 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
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
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
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO 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 DGAT1 2165/4885HDAC8 1830/4885MAPK10 1068/4885

“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.