SCHEMBL3649842

SCHEMBL3649842

CCNC(=O)N1CCC(Nc2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.67
MAPK9 P45984 10/20 0.67
JUN P05412 8/20 0.67
CDK2 P24941 7/20 0.67
MAPK10 P53779 7/20 0.64
HDAC8 Q9BY41 1/20 0.51
DGAT1 O75907 2/20 0.51
DKK1 O94907 1/20 0.50
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CYP11B2 P19099 1/20 0.47
IKBKB O14920 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL3646457 0.94 MAPK8 (0.60) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3649000 0.94 MAPK8 (0.60) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3647354 0.87 CYP11B2 (0.58) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3652055 0.87 CYP11B2 (0.59) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3647557 0.86 MAPK10 (0.55) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3650663 0.86 JUN (0.50) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3653157 0.85 HDAC8 (0.55) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3772849 0.85 DGAT1 (0.54) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3643785 0.84 CDK2 (0.53) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL3652907 0.84 HDAC8 (0.52) MAPK8MAPK9JUNCDK2MAPK10

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
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-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
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 MAPK8 170/4885MAPK9 1596/4885JUN 392/4885

“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.