SCHEMBL14020105

SCHEMBL14020105

CN(C1CC2CCC(C1)N2Cc1cncs1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)c(F)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.38
CDK4 P11802 1/20 0.38
CCNE1 P24864 1/20 0.38
ACVR1 Q04771 1/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
CA2 P00918 6/20 0.35
CA1 P00915 3/20 0.35
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
KDR P35968 1/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 2/20 0.34
STK4 Q13043 1/20 0.34
MAPT P10636 2/20 0.33
CCNA2 P20248 1/20 0.33
BRD4 O60885 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14020097 0.89 ACVR1 (0.41) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020131 0.86 CDK2 (0.37) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020121 0.85 CDK2 (0.40) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020110 0.84 CDK2 (0.38) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020129 0.84 CDK2 (0.41) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020127 0.84 CDK2 (0.38) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL4880668 0.83 ACVR1 (0.40) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020116 0.83 CDK2 (0.39) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL14020100 0.80 CDK2 (0.44) CDK2CDK4CCNE1ACVR1IKBKB
SCHEMBL4876612 0.78 HTR2A (0.51) CDK2CDK4CCNE1IKBKBCHUK

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 2 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

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.