SCHEMBL4891739

SCHEMBL4891739

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(C(=O)NCc6ccc(OC(F)(F)F)cc6)cc45)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
FLT3 P36888 13/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5954992 0.93 ROCK2 (0.45) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL5954314 0.91 FLT3 (0.46) FLT3AURKAAURKBMAPK3MAPK1
SCHEMBL4897392 0.89 MAPK3 (0.51) FLT3AURKAAURKBMAPK3MAPK1
SCHEMBL5955060 0.88 AURKA (0.51) FLT3AURKAAURKB
SCHEMBL5194410 0.87 AURKA (0.51) FLT3AURKAAURKB
SCHEMBL4893852 0.86 FLT3 (0.49) FLT3AURKAAURKB
SCHEMBL4892132 0.85 MAPK1 (0.55) FLT3AURKAAURKBMAPK3MAPK1
SCHEMBL4895796 0.85 AURKA (0.51) FLT3AURKAAURKB
SCHEMBL4501920 0.84 AURKA (0.48) FLT3AURKAAURKB
SCHEMBL4892860 0.84 CHEK1 (0.49) ALDH1A1FLT3GAAAURKAAURKB

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 ALDH1A1 230/4885HPGD 86/4885KDM4E 3773/4885

“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.