SCHEMBL6415050

SCHEMBL6415050

CC(C)(O)Cn1c(N)nc2cc(-c3cnco3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 15/20 0.52
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36

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
SCHEMBL6415043 0.85 AAK1 (0.48) AAK1GSK3BDYRK1A
SCHEMBL6420487 0.76 KDM4E (0.50) —
SCHEMBL6271298 0.75 RPS6KA5 (0.45) —
SCHEMBL21310819 0.75 TLR8 (0.58) —
SCHEMBL21311103 0.74 CNR2 (0.34) —
SCHEMBL21310933 0.74 RPS6KA5 (0.44) —
SCHEMBL21311070 0.74 TLR8 (0.41) —
SCHEMBL21310822 0.74 BACE1 (0.41) —
SCHEMBL21310816 0.74 BACE1 (0.60) —
SCHEMBL14891383 0.73 HTT (0.63) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 — — 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK AAK1 49/4885CYP11B1 1609/4885CYP11B2 1637/4885

“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.

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