SCHEMBL2214476

SCHEMBL2214476

C[C@@H]1CN(c2ncc(-c3ncc[nH]3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
MTOR P42345 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAK O14976 2/20 0.32
CXCR3 P49682 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
SCHEMBL2247007 0.81 PIK3CA (0.40) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2247014 0.81 PIK3CA (0.40) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2216042 0.80 GAK (0.41) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2212962 0.79 KDM4E (0.43) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2215416 0.79 GAK (0.52) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2215363 0.79 LRRK2 (0.40) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2214872 0.78 TDP1 (0.40) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2217666 0.78 GAK (0.37) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2215359 0.78 KMT2A (0.36) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL2214218 0.78 LRRK2 (0.44) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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 BRD4 828/4885ALDH1A1 246/4885KMT2A 4476/4885

“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.