SCHEMBL4904668

SCHEMBL4904668

c1ccc2cc(-c3ccnc(NCCc4c[nH]cn4)n3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.43
GSK3B P49841 1/20 0.43
CDK2 P24941 6/20 0.43
CCNT1 O60563 4/20 0.43
CCNA2 P20248 4/20 0.43
CDK9 P50750 4/20 0.43
MKNK1 Q9BUB5 6/20 0.42
MKNK2 Q9HBH9 3/20 0.42
EIF2AK2 P19525 3/20 0.40
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3651615 0.81 CDK2 (0.56) DKK1GSK3BCDK2CCNT1CCNA2
SCHEMBL4906521 0.81 ABL1 (0.50) CDK2CCNT1CCNA2CDK9MKNK1
SCHEMBL4895958 0.79 IKBKB (0.47) CDK2CCNT1CCNA2CDK9MKNK1
SCHEMBL3645075 0.79 MKNK1 (0.60) DKK1GSK3BCDK2CCNT1CCNA2
SCHEMBL4522330 0.78 EIF2AK2 (0.55) DKK1GSK3BCDK2CCNT1CCNA2
SCHEMBL3644727 0.78 DKK1 (0.50) DKK1GSK3BCDK2MKNK1EIF2AK2
SCHEMBL4907259 0.78 CCNT1 (0.66) CDK2CCNT1CCNA2CDK9MKNK1
SCHEMBL4903644 0.78 DKK1 (0.40) DKK1GSK3BCDK2CCNA2EIF2AK2
SCHEMBL3647860 0.77 CCNT1 (0.47) DKK1GSK3BCDK2CCNT1CCNA2
SCHEMBL18803521 0.77 MKNK1 (0.69) MKNK1MKNK2DYRK1B

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 130/4885CDK2 122/4885

“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.