SCHEMBL4897392

SCHEMBL4897392

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(C(=O)NCc6ccccc6)cc45)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
FLT3 P36888 13/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
ITK Q08881 1/20 0.47
PAK4 O96013 2/20 0.46
CDK2 P24941 1/20 0.46
TTK P33981 1/20 0.46
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL4892860 0.94 CHEK1 (0.49) MAPK3MAPK1FLT3AURKAAURKB
SCHEMBL4892132 0.92 MAPK1 (0.55) MAPK3MAPK1FLT3AURKAAURKB
SCHEMBL5194410 0.91 AURKA (0.51) FLT3AURKAAURKB
SCHEMBL4884451 0.90 CHEK1 (0.49) FLT3AURKAAURKBPAK4CDK2
SCHEMBL4891739 0.89 ALDH1A1 (0.47) MAPK3MAPK1FLT3AURKAAURKB
SCHEMBL5954314 0.89 FLT3 (0.46) MAPK3MAPK1FLT3AURKAAURKB
SCHEMBL4893852 0.89 FLT3 (0.49) FLT3AURKAAURKB
SCHEMBL4501920 0.89 AURKA (0.48) FLT3AURKAAURKBPAK4CDK2
SCHEMBL5954992 0.88 ROCK2 (0.45) MAPK3MAPK1FLT3AURKAAURKB
SCHEMBL4497871 0.88 AURKA (0.54) FLT3AURKAAURKBPAK4CDK2

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 MAPK3 2495/4885MAPK1 2747/4885FLT3 809/4885

“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.