SCHEMBL2214715

SCHEMBL2214715

C[C@@H]1CN(c2ncc(-c3ccc(N4CCOCC4)nc3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.56
CNR2 P34972 6/20 0.46
CYP11B2 P19099 1/20 0.43
MTOR P42345 2/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
AOC3 Q16853 1/20 0.41
SYK P43405 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MAP4K1 Q92918 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
SCHEMBL2214723 0.90 PIK3CA (0.45) ERN1MTORPIK3R1PIK3CA
SCHEMBL2212206 0.82 ERN1 (0.50) ERN1CNR2MTORPIK3R1PIK3CA
SCHEMBL2217996 0.80 GAK (0.42) PIK3CA
SCHEMBL2215416 0.80 GAK (0.52) PIK3CA
SCHEMBL2217666 0.79 GAK (0.37) PIK3CAAOC3
SCHEMBL2216042 0.79 GAK (0.41) ERN1MTORPIK3R1PIK3CAAOC3
SCHEMBL2212992 0.78 ERN1 (0.44) ERN1CYP11B2MTORPIK3R1PIK3CA
SCHEMBL2218016 0.78 GAK (0.39) AOC3MAP4K1
SCHEMBL2215363 0.78 LRRK2 (0.40) ERN1CYP11B2PIK3R1PIK3CAAOC3
SCHEMBL2212554 0.77 ERN1 (0.41) ERN1MTORPIK3R1PIK3CA

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX ERN1 2259/4885CNR2 3504/4885CYP11B2 206/4885

“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.