Sugi Predict

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SCHEMBL3594259

SCHEMBL3594259

CC(C)(C)OC(=O)NCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTK2 Q05397 4/20 0.40
▸ NPFFR1 Q9GZQ6 1/20 0.40
▸ NPFFR2 Q9Y5X5 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ ACHE P22303 3/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ SLC6A12 P48065 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ AURKB Q96GD4 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
SCHEMBL4622635 0.92 ACHE (0.42) JAK2JAK3LMNASMN1; SMN2PTK2
SCHEMBL3591825 0.90 JAK2 (0.47) JAK2JAK3
SCHEMBL28780614 0.85 JAK2 (0.40) JAK2JAK3LMNASMN1; SMN2PTK2
SCHEMBL3568059 0.79 GPR119 (0.42) —
SCHEMBL14020236 0.78 ACHE (0.42) JAK2JAK3LMNASMN1; SMN2PTK2
Hydrochloric Acid SCHEMBL4876774 0.78 ACHE (0.42) JAK2JAK3LMNASMN1; SMN2PTK2
SCHEMBL4623173 0.77 TRPV1 (0.39) JAK2JAK3
SCHEMBL27785870 0.76 JAK2 (0.47) JAK2JAK3
SCHEMBL4881065 0.75 ACHE (0.44) JAK2JAK3LMNASMN1; SMN2KMT2A
SCHEMBL4622267 0.75 MAPT (0.39) JAK2JAK3LMNAPTK2KMT2A

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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 — — US disclosed
CN-101600697-A Novel phenyl (4-phenylpyrimidin-2-yl) amine derivatives, their preparation as medicaments, pharmaceutical compositions and in particular as IKK inhibitors SANOFI AVENTIS (FR) 2009-12-09 — — CN disclosed
EP-2111395-A1 NEW PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINES DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-28 — — EP disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 — — 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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE JAK2 73/4885JAK3 91/4885LMNA 1850/4885

“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.