SCHEMBL30118372

SCHEMBL30118372

CC(C)(C)OC(=O)Nc1ccc(-c2cnccn2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
CYP17A1 P05093 3/20 0.46
TTK P33981 1/20 0.41
MAP4K4 O95819 1/20 0.41
PORCN Q9H237 1/20 0.41
CTPS1 P17812 2/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ABL1 P00519 2/20 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
SCHEMBL5869249 0.85 AAK1 (0.48) AAK1HDAC3HDAC1HDAC2CYP17A1
SCHEMBL29530597 0.82 AAK1 (0.52) AAK1HDAC3HDAC1HDAC2CYP17A1
SCHEMBL2133767 0.82 AAK1 (0.52) AAK1HDAC3HDAC1HDAC2CYP17A1
SCHEMBL5868960 0.82 AAK1 (0.68) AAK1HDAC3HDAC1HDAC2CYP17A1
SCHEMBL30058636 0.82 AAK1 (0.68) AAK1HDAC3HDAC1HDAC2CYP17A1
SCHEMBL15522475 0.81 HDAC2 (0.55) AAK1HDAC3HDAC1HDAC2PORCN
SCHEMBL25214140 0.81 AAK1 (0.51) AAK1HDAC1CYP17A1MAP4K4ABL1
SCHEMBL25256959 0.81 AAK1 (0.54) AAK1CYP17A1MAP4K4ABL1
SCHEMBL27039833 0.80 PORCN (0.50) AAK1PORCNABL1
SCHEMBL25214050 0.79 AAK1 (0.46) AAK1HDAC3HDAC1HDAC2CYP17A1

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-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 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-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 AAK1 1755/4885HDAC3 7/4885HDAC1 2/4885

“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.