SCHEMBL3517815

SCHEMBL3517815

CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)CC(C)(C)C)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.69
CDK2 P24941 3/20 0.51
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
JAK2 O60674 7/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
JAK3 P52333 1/20 0.45
CHUK O15111 1/20 0.44

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
SCHEMBL3522186 0.95 IKBKB (0.71) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3518295 0.91 IKBKB (0.76) IKBKBJAK2HDAC1HDAC6JAK3
SCHEMBL3519790 0.89 IKBKB (0.70) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3520259 0.88 IKBKB (0.65) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3519868 0.87 IKBKB (0.68) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3516626 0.86 IKBKB (0.69) IKBKBCDK2CDK1CDK4HDAC6
SCHEMBL3518118 0.86 IKBKB (0.73) IKBKBCDK2CDK4JAK2HDAC1
SCHEMBL3517846 0.86 IKBKB (0.73) IKBKBCDK2CDK1CDK4
SCHEMBL3517197 0.85 IKBKB (0.68) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3518563 0.85 IKBKB (0.68) IKBKBCDK2CDK1CDK4HDAC6

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.