SCHEMBL25854000

SCHEMBL25854000

CC(C)(C)C(=O)c1ccnn1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
PDK1 Q15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 2/20 0.36
NR3C2 P08235 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.34
BACE1 P56817 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL25530147 0.94 PKM (0.40) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL25564438 0.85 CNR2 (0.39) PDK2PDK1KMT2ABRD4
SCHEMBL25660320 0.81 SMN1; SMN2 (0.41) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL25562702 0.80 PDK2 (0.38) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL22303968 0.80 PDK2 (0.41) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL17437926 0.79 HCAR3 (0.41) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL4043341 0.79 KMT2A (0.43) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL23135531 0.77 BRD4 (0.40) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL17437902 0.77 F2 (0.46) PDK2PDK1SMN1; SMN2GAAPKM
SCHEMBL25522013 0.75 PKM (0.42) PDK2PDK1SMN1; SMN2GAAPKM

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-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 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-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA PDK2 2452/4885PDK1 2825/4885SMN1; SMN2 4839/4885

“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.