SCHEMBL4909060

SCHEMBL4909060

CC(C)(C)c1nc(COCC(Cc2c[nH]cn2)Nc2nccc(-c3cc4ccccc4s3)n2)no1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.36
CHUK O15111 6/20 0.34
IKBKG Q9Y6K9 6/20 0.34

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
SCHEMBL4906550 0.87 RAB9A (0.34)
SCHEMBL4904065 0.86 DKK1 (0.31)
SCHEMBL4908664 0.80 IKBKB (0.39) IKBKBCHUKIKBKG
SCHEMBL4896096 0.80 IKBKB (0.37) IKBKBCHUKIKBKG
SCHEMBL4911695 0.72 NPC1 (0.38)
SCHEMBL4906712 0.68 DKK1 (0.37)
SCHEMBL4895958 0.68 IKBKB (0.47) IKBKBCHUKIKBKG
SCHEMBL4898423 0.65 CDK2 (0.35)
SCHEMBL4906920 0.63 HDAC8 (0.36)
SCHEMBL4903644 0.61 DKK1 (0.40)

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.