SCHEMBL2212641

SCHEMBL2212641

C[C@@H]1CN(c2ccc(-c3cccc4cccnc34)nc2C=O)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
TSHR P16473 3/20 0.35
GFER P55789 1/20 0.35
GAA P10253 1/20 0.35
PRKDC P78527 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2213470 0.81 CNR2 (0.40) CNR2KDM4EKMT2AMEN1PIK3CD
SCHEMBL2216705 0.81 PIK3R1 (0.44) KDM4EKMT2AMEN1PIK3CATSHR
SCHEMBL2213594 0.78 MTOR (0.43) KMT2AMEN1PIK3CATSHRGAA
SCHEMBL30895885 0.78 KDM4E (0.43) KDM4EKMT2AMEN1PIK3CDPIK3CA
SCHEMBL2216714 0.78 GAA (0.38) KDM4EKMT2AMEN1PIK3CATSHR
SCHEMBL2212128 0.76 MTOR (0.45) KDM4EKMT2AMEN1PIK3CAGAA
SCHEMBL2215615 0.76 TDP1 (0.42) KDM4EKMT2APIK3CATSHRGAA
SCHEMBL2215391 0.76 KMT2A (0.38) KDM4EKMT2ATSHRGAAHTT
SCHEMBL2215037 0.75 RAB9A (0.39) KDM4EKMT2AGAAHTTTDP1
SCHEMBL2214863 0.74 GAK (0.36) KDM4EKMT2AMEN1PIK3CAGAA

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 CNR2 3504/4885KDM4E 4617/4885KMT2A 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.