SCHEMBL3516636

SCHEMBL3516636

CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(C=CCN4CCOCC4)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.58
JAK2 O60674 9/20 0.49
CDK2 P24941 4/20 0.48
JAK3 P52333 6/20 0.46
CDK4 P11802 2/20 0.46
CDK1 P06493 1/20 0.46
SMG1 Q96Q15 1/20 0.43
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL3516630 1.00 IKBKB (0.58) IKBKBJAK2CDK2JAK3CDK4
SCHEMBL3521094 0.86 IKBKB (0.67) IKBKBCDK2CDK4CDK1
SCHEMBL3521088 0.86 IKBKB (0.67) IKBKBCDK2CDK4CDK1
SCHEMBL3519188 0.85 IKBKB (0.66) IKBKBCDK2CDK4CDK1
SCHEMBL3519193 0.85 IKBKB (0.66) IKBKBCDK2CDK4CDK1
SCHEMBL3521024 0.85 IKBKB (0.59) IKBKBCDK2CDK4CDK1
SCHEMBL3521020 0.85 IKBKB (0.59) IKBKBCDK2CDK4CDK1
SCHEMBL3517643 0.82 IKBKB (0.71) IKBKBCDK2CDK4CDK1
SCHEMBL3522180 0.80 JAK2 (0.54) IKBKBJAK2CDK2JAK3CDK4
SCHEMBL3519740 0.80 IKBKB (0.75) IKBKBCDK2CDK4CDK1

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 3246/4885JAK2 341/4885CDK2 11/4885

“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.