SCHEMBL3520100

SCHEMBL3520100

CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(N)cc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.77
CDK2 P24941 4/20 0.65
CDK1 P06493 2/20 0.61
CDK4 P11802 1/20 0.61
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
GSK3B P49841 1/20 0.51
CHUK O15111 1/20 0.50
NEK1 Q96PY6 1/20 0.50
SRC P12931 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL3521888 0.94 IKBKB (0.78) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3521241 0.91 IKBKB (0.74) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3520093 0.90 IKBKB (0.72) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3516492 0.90 IKBKB (0.72) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3522686 0.90 IKBKB (0.72) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3516668 0.88 IKBKB (0.68) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3522392 0.88 IKBKB (0.70) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3516111 0.88 IKBKB (0.70) IKBKBCDK2CDK1CDK4MAPK8
SCHEMBL3518431 0.87 IKBKB (1.00) IKBKBCDK2CDK4MAPK8MAPK10
SCHEMBL3522127 0.87 IKBKB (0.69) IKBKBCDK2CDK1CDK4MAPK8

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 3246/4885CDK2 11/4885CDK1 43/4885

“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.