SCHEMBL2215311

SCHEMBL2215311

C[C@@H]1CN(c2ccc(-c3cncnc3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAK O14976 7/20 0.39
PIK3CA P42336 2/20 0.38
PIK3R1 P27986 1/20 0.38
LRRK2 Q5S007 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2213594 0.88 MTOR (0.43) GAKPIK3CAPIK3R1GAAALDH1A1
SCHEMBL2212128 0.86 MTOR (0.45) GAKPIK3CAPIK3R1LRRK2GAA
SCHEMBL2214863 0.84 GAK (0.36) GAKPIK3CAGAAALDH1A1L3MBTL1
SCHEMBL2213578 0.83 LRRK2 (0.44) GAKPIK3CAPIK3R1LRRK2L3MBTL1
SCHEMBL2213596 0.83 GAK (0.37) GAKPIK3CAPIK3R1GAAALDH1A1
SCHEMBL2217662 0.82 LRRK2 (0.41) GAKPIK3CAPIK3R1LRRK2GAA
SCHEMBL2215269 0.82 MTOR (0.47) GAKPIK3CAPIK3R1GAAALDH1A1
SCHEMBL2215615 0.81 TDP1 (0.42) PIK3CAPIK3R1GAAALDH1A1L3MBTL1
SCHEMBL2214794 0.80 GAA (0.34) GAKGAAALDH1A1L3MBTL1PDE3B
SCHEMBL2212136 0.79 TDP1 (0.39) GAKPIK3CALRRK2GAAALDH1A1

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 GAK 1986/4885PIK3CA 3969/4885PIK3R1 4387/4885

“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.