SCHEMBL3516668

SCHEMBL3516668

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.68
CDK2 P24941 4/20 0.61
MAPK8 P45983 3/20 0.58
MAPK10 P53779 2/20 0.58
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CHUK O15111 1/20 0.57
JAK2 O60674 1/20 0.52
CDC7 O00311 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
GSK3B P49841 2/20 0.50
PIK3CG P48736 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
CCNE2 O96020 1/20 0.50
CCNE1 P24864 1/20 0.50

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
SCHEMBL3520100 0.88 IKBKB (0.77) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3520093 0.88 IKBKB (0.72) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3521241 0.87 IKBKB (0.74) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3516492 0.86 IKBKB (0.72) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3522686 0.86 IKBKB (0.72) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3516111 0.85 IKBKB (0.70) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3522392 0.85 IKBKB (0.70) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL8312660 0.84 IKBKB (0.60) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3522127 0.84 IKBKB (0.69) IKBKBCDK2MAPK8MAPK10CDK1
SCHEMBL3520614 0.84 IKBKB (0.69) IKBKBCDK2MAPK8MAPK10CDK1

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 11/4885MAPK8 3605/4885

“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.