SCHEMBL29338016

SCHEMBL29338016

CC(C)Cc1cnn(C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
FBP1 P09467 1/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL30259473 0.83 GAA (0.33) GAAATMMAPK1MEN1KMT2A
SCHEMBL13981849 0.81 ALDH1A1 (0.39) GAAATMMAPK1MEN1KMT2A
SCHEMBL3586940 0.79 GAA (0.39) GAAATMMAPK1MEN1KMT2A
SCHEMBL27002716 0.72 CA1 (0.34) GAAATMMEN1KMT2ALMNA
SCHEMBL27002872 0.71 ATM (0.34) GAAATMMEN1KMT2A
SCHEMBL29338014 0.71 ATM (0.33) GAAATMMAPK1MEN1KMT2A
SCHEMBL12414776 0.71 KDM4E (0.36) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL28969335 0.71 MEN1 (0.46) GAAMEN1KMT2ALMNA
SCHEMBL25478486 0.69 GABRA1 (0.32)
SCHEMBL8384735 0.69 PKM (0.39) GAAATMALOX15MEN1KMT2A

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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK GAA 746/4885FBP1 2281/4885ATM 38/4885

“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.