Sugi Predict

Sugi Predict / Compounds / SCHEMBL4880324

SCHEMBL4880324

SCHEMBL4880324

CN(C1CCN(Cc2csnn2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)c(F)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ ACVR1 Q04771 1/20 0.38
▸ JAK2 O60674 5/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ JAK3 P52333 3/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34

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
SCHEMBL4874632 0.94 CDK2 (0.39) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL14020133 0.92 CDK2 (0.37) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL14020110 0.89 CDK2 (0.38) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4873370 0.86 IGF1R (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL14020104 0.85 IKBKB (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4878709 0.84 CDK2 (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL14020097 0.84 ACVR1 (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4876612 0.84 HTR2A (0.51) CDK2CDK4CCNE1JAK2IKBKB
SCHEMBL4880639 0.83 CDK4 (0.42) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4883653 0.83 SCN8A (0.40) CDK2CDK4CCNE1ACVR1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 — — WO 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE CDK2 9/4885CDK4 54/4885CCNE1 271/4885

“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.