SCHEMBL5954894

SCHEMBL5954894

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(C(=O)N6CCOCC6)cc45)[nH]c3cc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 19/20 0.56
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL5954692 0.92 FLT3 (0.49) FLT3AURKAAURKB
SCHEMBL4895119 0.92 AURKA (0.48) FLT3AURKAAURKB
SCHEMBL4888262 0.92 AURKA (0.48) FLT3AURKAAURKB
SCHEMBL5190165 0.91 AURKA (0.47) FLT3AURKAAURKB
SCHEMBL5954707 0.90 AURKA (0.47) FLT3AURKAAURKB
SCHEMBL5955008 0.90 AURKA (0.46) FLT3AURKAAURKB
SCHEMBL5954209 0.90 AURKA (0.46) FLT3AURKAAURKB
SCHEMBL5954302 0.89 AURKA (0.47) FLT3AURKAAURKB
SCHEMBL5954822 0.88 AURKA (0.46) FLT3AURKAAURKB
SCHEMBL5954827 0.86 AURKA (0.54) FLT3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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 FLT3 809/4885AURKA 2529/4885AURKB 2155/4885

“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.