SCHEMBL3516178

SCHEMBL3516178

CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.69
CHUK O15111 7/20 0.69
IKBKG Q9Y6K9 7/20 0.69
CDK2 P24941 4/20 0.60
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 0.60
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCZ Q05513 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DKK1 O94907 1/20 0.46
GSK3B P49841 1/20 0.46
SRC P12931 1/20 0.45

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
SCHEMBL3524238 0.84 IKBKB (0.68) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL3522127 0.79 IKBKB (0.69) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL3521241 0.78 IKBKB (0.74) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL4146248 0.78 IKBKB (0.56) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL3520982 0.77 IKBKB (1.00) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL3522686 0.77 IKBKB (0.72) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL3520100 0.77 IKBKB (0.77) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL3520093 0.77 IKBKB (0.72) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL3516492 0.77 IKBKB (0.72) IKBKBCHUKCDK2CDK1CDK4
SCHEMBL4148307 0.76 IKBKB (0.58) IKBKBCHUKIKBKGCDK2CDK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CHUK 2096/4885IKBKG 3840/4885

“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.