SCHEMBL4906712

SCHEMBL4906712

CCOCC(Cc1c[nH]cn1)Nc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.37
GSK3B P49841 2/20 0.37
MAPK8 P45983 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAPK14 Q16539 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ALPL P05186 1/20 0.32

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
SCHEMBL4903644 0.85 DKK1 (0.40) DKK1GSK3BMAPK8HDAC8MEN1
SCHEMBL4906920 0.85 HDAC8 (0.36) DKK1GSK3BMAPK8HDAC8CAMKK2
SCHEMBL4904065 0.83 DKK1 (0.31) DKK1GSK3B
SCHEMBL4898423 0.83 CDK2 (0.35) DKK1GSK3BHDAC8MAPK1
SCHEMBL4911695 0.80 NPC1 (0.38) GSK3BMAPK8MEN1NPC1RAB9A
SCHEMBL4897636 0.78 HDAC8 (0.41) DKK1GSK3BMAPK8HDAC8SPHK1
SCHEMBL4904668 0.74 DKK1 (0.43) DKK1GSK3BHDAC8MEN1NPC1
SCHEMBL4908664 0.72 IKBKB (0.39) MEN1KMT2A
SCHEMBL3647915 0.71 DKK1 (0.48) DKK1GSK3BMAPK8MAPK14MEN1
SCHEMBL3651561 0.70 MAPK8 (0.55) DKK1GSK3BMAPK8MEN1NPC1

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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 DKK1 9/4885GSK3B 130/4885MAPK8 561/4885

“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.