SCHEMBL4906897

SCHEMBL4906897

N#CCCCCn1cnc(C[C@@H](CO)Nc2nccc(-c3cc4ccccc4s3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.39
CHUK O15111 9/20 0.39
IKBKG Q9Y6K9 9/20 0.39
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCZ Q05513 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 4/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL4906993 0.90 IKBKB (0.41) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4897686 0.86 IKBKB (0.34) IKBKB
SCHEMBL4906299 0.85 IKBKB (0.41) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4900193 0.85 DKK1 (0.36) MAPK10
SCHEMBL4896126 0.83 IKBKB (0.45) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4895978 0.82 IKBKB (0.40) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4906911 0.82 IKBKB (0.42) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4902936 0.75 DHODH (0.35) IKBKBTRPV3
SCHEMBL4908616 0.75 IKBKB (0.41) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4904546 0.71 IKBKB (0.35) IKBKB

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 IKBKB 1711/4885CHUK 975/4885IKBKG 4007/4885

“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.