SCHEMBL4906920

SCHEMBL4906920

c1ccc2cc(-c3ccnc(NC(COCC4CCCCC4)Cc4c[nH]cn4)n3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
DKK1 O94907 4/20 0.35
GSK3B P49841 2/20 0.34
CDK2 P24941 2/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
CCNB2 O95067 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
CCNB1 P14635 1/20 0.34
PRKACA P17612 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SYK P43405 1/20 0.33
IKBKE Q14164 3/20 0.32
TBK1 Q9UHD2 3/20 0.32
MAPK10 P53779 4/20 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
SCHEMBL4906712 0.85 DKK1 (0.37) HDAC8DKK1GSK3BMAPK8CAMKK2
SCHEMBL4903644 0.81 DKK1 (0.40) HDAC8DKK1GSK3BCDK2MAPK8
SCHEMBL4898423 0.78 CDK2 (0.35) HDAC8DKK1GSK3BCDK2CDC7
SCHEMBL4904065 0.77 DKK1 (0.31) DKK1GSK3B
SCHEMBL4911695 0.74 NPC1 (0.38) GSK3BMAP4K4MAPK8CAMKK2
SCHEMBL4897636 0.73 HDAC8 (0.41) HDAC8DKK1GSK3BMAPK10MAPK8
SCHEMBL4904668 0.69 DKK1 (0.43) HDAC8DKK1GSK3BCDK2MKNK2
SCHEMBL4908664 0.68 IKBKB (0.39) CDK2CDC7CCNA2
SCHEMBL4896096 0.67 IKBKB (0.37)
SCHEMBL3648299 0.67 MAPK10 (0.60) HDAC8GSK3BCDK2CDC7CCNB2

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-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

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 HDAC8 3791/4885DKK1 9/4885GSK3B 130/4885

“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.