Sugi Predict

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SCHEMBL4881265

SCHEMBL4881265

CC(C)(O)CNCCN(C1CCNCC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDR P35968 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CA12 O43570 1/20 0.36

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
SCHEMBL4622719 0.90 MEN1 (0.46) MEN1NPC1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4883215 0.89 MEN1 (0.45) MEN1NPC1LMNAMAPTALOX12
SCHEMBL14020236 0.85 ACHE (0.42) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4622257 0.85 MEN1 (0.48) MEN1NPC1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4876774 0.85 ACHE (0.42) MEN1NPC1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4885375 0.84 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL14020157 0.84 MEN1 (0.49) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4883643 0.84 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4882044 0.83 MEN1 (0.48) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4621289 0.83 MEN1 (0.47) 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 4 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
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
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 — — WO 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.