SCHEMBL4883806

SCHEMBL4883806

NCCCN(C1CCN(CCP(=O)(O)O)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL4887001 0.95 MEN1 (0.41) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4882378 0.94 CDK2 (0.38) CA1CA2CDK2CCNE1CDK4
SCHEMBL14020210 0.89 DRD2 (0.38) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4876637 0.89 CDK2 (0.39) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4885573 0.87 L3MBTL1 (0.48) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4624014 0.86 DRD2 (0.40) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4624016 0.86 HTR1A (0.41) MEN1NPC1LMNAMAPTALOX12
SCHEMBL14020199 0.85 DRD2 (0.40) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4881934 0.84 HTR1A (0.39) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4887035 0.84 MAPT (0.40) MEN1NPC1LMNAMAPTALOX12

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 1 patent. 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

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 MEN1 3980/4885NPC1 3888/4885LMNA 3139/4885

“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.