SCHEMBL2213337

SCHEMBL2213337

C[C@@H]1CN(c2ccc(-c3ccnn3C)nc2C=O)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2214794 0.81 GAA (0.34) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL2212128 0.81 MTOR (0.45) PIK3R1PIK3CALRRK2ALDH1A1GAA
SCHEMBL2213578 0.80 LRRK2 (0.44) PIK3R1PIK3CALRRK2L3MBTL1MAPT
SCHEMBL2216705 0.79 PIK3R1 (0.44) PIK3R1PIK3CAALDH1A1GAASMN1; SMN2
SCHEMBL2214863 0.79 GAK (0.36) PIK3CAALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL2215615 0.78 TDP1 (0.42) PIK3R1PIK3CAALDH1A1GAASMN1; SMN2
SCHEMBL2215391 0.78 KMT2A (0.38) ALDH1A1GAASMN1; SMN2CCNCCDK8
SCHEMBL2213594 0.78 MTOR (0.43) PIK3R1PIK3CAALDH1A1GAAL3MBTL1
SCHEMBL2216714 0.77 GAA (0.38) PIK3R1PIK3CAALDH1A1GAASMN1; SMN2
SCHEMBL2215311 0.77 GAK (0.39) PIK3R1PIK3CALRRK2ALDH1A1GAA

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 3969/4885LRRK2 414/4885

“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.