SCHEMBL4886277

SCHEMBL4886277

CN(C)[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
ALOX12 P18054 1/20 0.55
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CDK2 P24941 2/20 0.44
CHRNA7 P36544 1/20 0.44
CDK4 P11802 1/20 0.44
CCNE1 P24864 1/20 0.44
CCNA2 P20248 1/20 0.43
MAPK8 P45983 1/20 0.43
KDR P35968 1/20 0.43
PLK1 P53350 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL4623749 1.00 MEN1 (0.55) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL14020253 1.00 MEN1 (0.55) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4649640 0.92 MEN1 (0.53) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4623505 0.92 MEN1 (0.53) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4883775 0.92 MEN1 (0.53) MEN1LMNAMAPK1KMT2ANPC1
Hydrochloric Acid SCHEMBL4881165 0.91 MEN1 (0.52) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4623094 0.91 MEN1 (0.52) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL14020249 0.91 MEN1 (0.52) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4623169 0.91 MEN1 (0.52) MEN1LMNAMAPK1KMT2ANPC1
SCHEMBL4623266 0.90 MEN1 (0.53) MEN1LMNAMAPK1KMT2ANPC1

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 3980/4885LMNA 3139/4885MAPK1 291/4885

“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.