SCHEMBL4881291

SCHEMBL4881291

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ACVR1 Q04771 1/20 0.41
CCR2 P41597 6/20 0.40
CDK4 P11802 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
HTR2A P28223 5/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
HTR7 P34969 3/20 0.39
HTR2C P28335 2/20 0.38
JAK2 O60674 1/20 0.38
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL4875744 0.95 IKBKB (0.42) IKBKBCHUKACVR1CCR2CDK4
SCHEMBL4880347 0.92 HTR2A (0.47) ACVR1CCR2CDK2HTR2AHTR1A
SCHEMBL4880639 0.88 CDK4 (0.42) IKBKBCHUKACVR1CCR2CDK4
SCHEMBL4876790 0.87 HTR2A (0.48) ACVR1HTR2AHTR1ADRD2HTR7
SCHEMBL4876612 0.87 HTR2A (0.51) IKBKBCHUKCDK4CCNE1CDK2
SCHEMBL4876738 0.86 APOBEC3A (0.41) IKBKBCHUKACVR1CCR2CDK4
SCHEMBL4621520 0.86 CDK4 (0.41) IKBKBCHUKACVR1CDK4CCNE1
SCHEMBL4878709 0.85 CDK2 (0.41) IKBKBCHUKACVR1CDK4CCNE1
SCHEMBL14020100 0.84 CDK2 (0.44) IKBKBCHUKACVR1CDK4CCNE1
Methane SCHEMBL4880649 0.84 ACVR1 (0.41) IKBKBCHUKACVR1CCR2CDK4

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 IKBKB 2/4885CHUK 5/4885ACVR1 3706/4885

“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.