Sugi Predict

Sugi Predict / Compounds / SCHEMBL4890225

SCHEMBL4890225

SCHEMBL4890225

CC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NS(=O)(=O)c6ccccc6[N+](=O)[O-])cc45)nc3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDPK1 O15530 6/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ NPY5R Q15761 1/20 0.34

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
SCHEMBL4894914 0.90 ITK (0.40) ITKPDPK1ABL1BCRFGFR1
SCHEMBL4895079 0.90 AURKA (0.47) ITKPKMGAASMN1; SMN2PDPK1
SCHEMBL4892877 0.85 ITK (0.49) ITKPDPK1HSPD1PTPN2PTPN1
SCHEMBL5192185 0.83 MAPT (0.43) SMN1; SMN2FGFR1L3MBTL1AURKAAURKB
SCHEMBL5954138 0.79 AURKA (0.52) ITKPDPK1ABL1BCRFGFR1
SCHEMBL5189724 0.77 AURKA (0.43) PDPK1FGFR1FLT1AURKAAURKB
SCHEMBL4888848 0.76 AURKA (0.52) ITKPKMGAASMN1; SMN2PDPK1
SCHEMBL4886259 0.76 FGFR1 (0.48) ITKPDPK1ABL1FGFR1FLT1
SCHEMBL4890270 0.75 AURKA (0.46) ITKPKMPDPK1AURKAAURKB
SCHEMBL4892853 0.73 AURKA (0.51) ITKPDPK1HSPD1PTPN2PTPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A — — 2008-07-10 — — JP claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 — — EP claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 — — US claimed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — WO claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 — — EP disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 — — US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 ITK 1964/4885PKM 464/4885GAA 965/4885

“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.