SCHEMBL2214741

SCHEMBL2214741

COc1cncc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)c(C=O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.47
FFAR4 Q5NUL3 2/20 0.39
GAK O14976 4/20 0.37
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
BACE1 P56817 1/20 0.35
GAA P10253 2/20 0.34
OPRK1 P41145 1/20 0.34
SYK P43405 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CYP11B2 P19099 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
SCHEMBL2214872 0.81 TDP1 (0.40) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2214511 0.80 GAK (0.36) GAKKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2214156 0.80 GAK (0.38) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2216542 0.80 LRRK2 (0.43) LRRK2FFAR4GAKKDM4EMEN1
SCHEMBL2212997 0.78 GAK (0.35) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2215363 0.78 LRRK2 (0.40) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2214218 0.77 LRRK2 (0.44) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2214626 0.77 CYP2C9 (0.36) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL3809787 0.77 CYP2C9 (0.36) LRRK2GAKKDM4EMEN1ALDH1A1
SCHEMBL2216042 0.77 GAK (0.41) LRRK2GAKKDM4EMEN1ALDH1A1

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 414/4885FFAR4 2924/4885GAK 1986/4885

“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.