SCHEMBL3520630

SCHEMBL3520630

CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.70
CDK2 P24941 4/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
LMNA P02545 1/20 0.55
JAK2 O60674 2/20 0.52
JAK3 P52333 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDR P35968 1/20 0.49
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN3A Q9NY46 1/20 0.47

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
SCHEMBL3519868 0.95 IKBKB (0.68) IKBKBCDK2CDK1CDK4LMNA
SCHEMBL3521391 0.90 IKBKB (0.58) IKBKBCDK2CDK1CDK4LMNA
SCHEMBL3524640 0.89 IKBKB (0.73) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3520272 0.88 IKBKB (0.73) IKBKBCDK2CDK4LMNAJAK2
SCHEMBL3521757 0.88 IKBKB (0.59) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3517828 0.87 IKBKB (0.72) IKBKBCDK2CDK1CDK4LMNA
SCHEMBL3516422 0.86 IKBKB (0.64) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3522186 0.86 IKBKB (0.71) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3517070 0.86 IKBKB (0.59) IKBKBCDK2LMNAMEN1KMT2A
SCHEMBL3524261 0.85 IKBKB (0.68) IKBKBCDK2LMNAJAK2JAK3

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.