SCHEMBL2214152

SCHEMBL2214152

COc1ccncc1-c1cnc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.48
CYP11B2 P19099 1/20 0.45
GAK O14976 9/20 0.40
ABL1 P00519 1/20 0.39
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ERN1 O75460 3/20 0.37
KIT P10721 1/20 0.37
MAP4K1 Q92918 1/20 0.37
NAAA Q02083 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL2215329 0.89 ERN1 (0.46) GAKKDM4EHPGDHTTERN1
SCHEMBL2216045 0.86 ALDH1A1 (0.37) LRRK2GAKKDM4EHTTPIK3CD
SCHEMBL2214156 0.83 GAK (0.38) LRRK2GAKKDM4EHPGDHTT
SCHEMBL2216042 0.82 GAK (0.41) LRRK2GAKKDM4EERN1PIK3CD
SCHEMBL2212992 0.80 ERN1 (0.44) CYP11B2GAKKDM4EERN1PIK3CD
SCHEMBL2216454 0.80 LRRK2 (0.46) LRRK2GAKABL1KDM4EHTT
SCHEMBL2214872 0.78 TDP1 (0.40) LRRK2CYP11B2GAKKDM4EHTT
SCHEMBL2213873 0.78 LRRK2 (0.40) LRRK2GAKKDM4EHPGDHTT
SCHEMBL2215288 0.78 L3MBTL1 (0.44) GAKKDM4EHPGDPIK3CA
SCHEMBL2215416 0.77 GAK (0.52) GAKKDM4EHPGDHTTPIK3CA

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 414/4885CYP11B2 206/4885GAK 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.