SCHEMBL2216705

SCHEMBL2216705

C[C@@H]1CN(c2ccc(-c3ccccn3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
GAA P10253 2/20 0.40
SCN9A Q15858 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
ALOX15 P16050 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL2215615 0.85 TDP1 (0.42) PIK3R1PIK3CAMTORGAAKDM4E
SCHEMBL2216714 0.84 GAA (0.38) PIK3R1PIK3CAMTORGAAKDM4E
SCHEMBL2212641 0.81 CNR2 (0.43) PIK3CAMTORGAAKDM4EALDH1A1
SCHEMBL2212128 0.81 MTOR (0.45) PIK3R1PIK3CAMTORGAAKDM4E
SCHEMBL2213015 0.80 GAA (0.35) PIK3R1PIK3CAMTORGAAKDM4E
SCHEMBL2215391 0.80 KMT2A (0.38) MTORGAAKDM4EALDH1A1HTT
SCHEMBL30895885 0.79 KDM4E (0.43) PIK3CAGAAKDM4EALDH1A1HTT
SCHEMBL2214863 0.79 GAK (0.36) PIK3CAMTORGAAKDM4EALDH1A1
SCHEMBL2213337 0.79 PIK3R1 (0.40) PIK3R1PIK3CAGAAKDM4EALDH1A1
SCHEMBL2212136 0.78 TDP1 (0.39) PIK3CAMTORGAAKDM4EALDH1A1

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 PIK3R1 4387/4885PIK3CA 3969/4885MTOR 722/4885

“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.