SCHEMBL5192185

SCHEMBL5192185

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
HPGD P15428 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
NPC1 O15118 6/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
RAB9A P51151 6/20 0.37
HTT P42858 3/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CASP3 P42574 1/20 0.37
MMP13 P45452 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPBWR1 P48145 9/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL5189724 0.86 AURKA (0.43) AURKAAURKBFLT3FGFR1CLK4
SCHEMBL4890225 0.83 ITK (0.40) AURKAAURKBSMN1; SMN2L3MBTL1FGFR1
SCHEMBL5189691 0.82 AURKA (0.54) MAPTHPGDAURKAAURKBNPC1
SCHEMBL4886259 0.82 FGFR1 (0.48) AURKAAURKBPKN2ALDH1A1FLT3
SCHEMBL4891748 0.81 PAK4 (0.43) MAPK1FLT3FGFR1
SCHEMBL4892877 0.79 ITK (0.49) AURKAAURKBFLT3
SCHEMBL4894914 0.77 ITK (0.40) AURKAAURKBFGFR1
SCHEMBL4827132 0.74 AURKA (0.44) AURKAAURKB
SCHEMBL5618911 0.73 AURKA (0.50) AURKAAURKBNPC1RAB9AALDH1A1
SCHEMBL3534190 0.73 MAPT (0.55) MAPTHPGDNPC1PKN1PKN2

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
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 MAPT 4241/4885HPGD 86/4885AURKA 2529/4885

“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.