SCHEMBL14020100

SCHEMBL14020100

CN(C1CCN(C2CC2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)c(F)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
CDK4 P11802 1/20 0.44
CCNE1 P24864 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ACVR1 Q04771 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL4876612 0.91 HTR2A (0.51) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4885411 0.91 HTR2A (0.50) CDK2CDK4CCNE1ACVR1HTR2A
SCHEMBL4622742 0.87 IKBKB (0.49) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4880639 0.86 CDK4 (0.42) CDK2CDK4CCNE1IKBKBCHUK
Hydrochloric Acid SCHEMBL4880086 0.86 IKBKB (0.49) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4621520 0.85 CDK4 (0.41) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4878709 0.85 CDK2 (0.41) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4875744 0.85 IKBKB (0.42) CDK2CDK4CCNE1IKBKBCHUK
Methane SCHEMBL4880649 0.85 ACVR1 (0.41) CDK2CDK4CCNE1IKBKBCHUK
SCHEMBL4621383 0.84 HTR2A (0.49) CDK2CDK4CCNE1HTR2AHTR2C

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.