SCHEMBL2214218

SCHEMBL2214218

C[C@@H]1CN(c2ncc(-c3cn[nH]c3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
ERN1 O75460 1/20 0.42
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 1/20 0.41
GAK O14976 5/20 0.36
PIK3CD O00329 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MDM2 Q00987 1/20 0.35
ROCK2 O75116 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PIK3CG P48736 1/20 0.34
LMNA P02545 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
SCHEMBL2216256 0.83 GAA (0.34) LRRK2PIK3R1PIK3CAMTORGAK
SCHEMBL2215416 0.82 GAK (0.52) PIK3CAGAKGAAALDH1A1KMT2A
SCHEMBL2215363 0.82 LRRK2 (0.40) LRRK2ERN1PIK3R1PIK3CAGAK
SCHEMBL2216042 0.81 GAK (0.41) LRRK2ERN1PIK3R1PIK3CAMTOR
SCHEMBL2214723 0.81 PIK3CA (0.45) ERN1PIK3R1PIK3CAMTORPIK3CD
SCHEMBL2212966 0.81 AOC3 (0.37) PIK3CAGAKGAAALDH1A1KMT2A
SCHEMBL2216321 0.81 LRRK2 (0.43) LRRK2ERN1PIK3R1PIK3CAMTOR
SCHEMBL2212997 0.80 GAK (0.35) LRRK2PIK3CAGAKGAAALDH1A1
SCHEMBL2217996 0.80 GAK (0.42) PIK3CAGAKGAAALDH1A1KMT2A
SCHEMBL2215141 0.80 ERN1 (0.45) LRRK2ERN1PIK3R1PIK3CA

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 LRRK2 414/4885ERN1 2259/4885PIK3R1 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.