SCHEMBL4908616

SCHEMBL4908616

COc1ccc(C(C)=O)cc1Cn1cnc(C[C@@H](CO)Nc2nccc(-c3cc4ccccc4s3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.41
CHUK O15111 8/20 0.41
IKBKG Q9Y6K9 8/20 0.41
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PRKCZ Q05513 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4904542 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL4907640 0.87 ALDH1A1 (0.39) IKBKBALDH1A1KMT2AMEN1MAPK1
SCHEMBL4896126 0.80 IKBKB (0.45) IKBKBCHUKIKBKGALDH1A1KMT2A
SCHEMBL4906911 0.79 IKBKB (0.42) IKBKBCHUKIKBKGKMT2AMEN1
SCHEMBL4895978 0.78 IKBKB (0.40) IKBKBCHUKIKBKGKMT2AMEN1
SCHEMBL4906299 0.78 IKBKB (0.41) IKBKBCHUKIKBKGKMT2AMEN1
SCHEMBL4906993 0.78 IKBKB (0.41) IKBKBCHUKIKBKGKMT2AMEN1
SCHEMBL4906897 0.75 IKBKB (0.39) IKBKBCHUKIKBKGKMT2AMEN1
SCHEMBL4906573 0.68 AKT3 (0.37) IKBKBMAPK1
SCHEMBL4904628 0.68 MAPK1 (0.35) IKBKBMAPK1

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.