SCHEMBL23344658

SCHEMBL23344658

CC(C)Cc1cccnc1N1CCOCC1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.44
PIK3C3 Q8NEB9 2/20 0.40
ATR Q13535 2/20 0.39
ATRIP Q8WXE1 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL23328020 0.86 MTOR (0.47) MTORPIK3C3PIK3CDPIK3CA
SCHEMBL23344657 0.86 MTOR (0.47) MTORPIK3C3ATRATRIPPIK3CD
SCHEMBL23344776 0.82 MTOR (0.44) MTORPIK3C3ATRATRIPPIK3CD
SCHEMBL23344659 0.79 CYP1A2 (0.49) PIK3CDPIK3CA
SCHEMBL25359834 0.78 ATR (0.48) MTORATRATRIPPDE4D
SCHEMBL30453962 0.78 ATR (0.48) MTORATRATRIPPDE4D
SCHEMBL25359841 0.78 ATR (0.48) MTORATRATRIPPDE4D
SCHEMBL25353363 0.75 MTOR (0.53) MTORATRATRIPPIK3CA
SCHEMBL25285572 0.75 MTOR (0.53) MTORATRATRIPPIK3CA
SCHEMBL25353367 0.75 MTOR (0.53) MTORATRATRIPPIK3CA

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A MTOR 3556/4885PIK3C3 4196/4885ATR 4736/4885

“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.