Sugi Predict

Sugi Predict / Compounds / SCHEMBL4881065

SCHEMBL4881065

SCHEMBL4881065

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N(CCNCC(F)(F)F)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.44
▸ BACE1 P56817 3/20 0.44
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 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
▸ PRKAA2 P54646 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ SCN1A P35498 4/20 0.37
▸ SCN8A Q9UQD0 4/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 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
SCHEMBL14020236 0.92 ACHE (0.42) ACHEBACE1LMNAMEN1NPC1
Hydrochloric Acid SCHEMBL4876774 0.92 ACHE (0.42) ACHEBACE1LMNAMEN1NPC1
SCHEMBL4621974 0.88 ACHE (0.47) ACHEBACE1LMNAMEN1NPC1
Hydrochloric Acid SCHEMBL4882363 0.87 ACHE (0.47) ACHEBACE1LMNAMEN1NPC1
SCHEMBL4622635 0.85 ACHE (0.42) ACHEBACE1LMNAPRKAA2MAPK8
SCHEMBL4623338 0.84 ACHE (0.49) ACHEBACE1LMNAMEN1NPC1
SCHEMBL4623348 0.83 ACHE (0.46) ACHEBACE1LMNAMEN1NPC1
SCHEMBL4623862 0.81 ACHE (0.46) ACHEBACE1LMNAMEN1NPC1
SCHEMBL4623880 0.80 MEN1 (0.44) LMNAMEN1NPC1MAPTALOX12
SCHEMBL3587357 0.80 JAK2 (0.51) ACHEBACE1JAK2JAK3

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 3 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
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 ACHE 3329/4885BACE1 2821/4885LMNA 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.