SCHEMBL2214872

SCHEMBL2214872

C[C@@H]1CN(c2ncc(-c3cnccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PIK3CA P42336 3/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
AOC3 Q16853 2/20 0.33
GAK O14976 2/20 0.33
PIK3CD O00329 2/20 0.32
LRRK2 Q5S007 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL2217944 0.85 SCN9A (0.43) KDM4EGAAMAPTRAB9AL3MBTL1
SCHEMBL4509999 0.84 KDM4E (0.41) TDP1KDM4EHTTGAAMAPT
SCHEMBL2216042 0.83 GAK (0.41) KDM4EGAAMAPTRAB9AL3MBTL1
SCHEMBL2216045 0.83 ALDH1A1 (0.37) KDM4EHTTGAAMAPTRAB9A
SCHEMBL2212992 0.83 ERN1 (0.44) CYP11B2KDM4EGAAL3MBTL1ALDH1A1
SCHEMBL2247007 0.82 PIK3CA (0.40) KDM4EHTTGAAMAPTRAB9A
SCHEMBL2247014 0.82 PIK3CA (0.40) KDM4EHTTGAAMAPTRAB9A
SCHEMBL2215363 0.82 LRRK2 (0.40) CYP11B2KDM4EGAAMAPTRAB9A
SCHEMBL2214741 0.81 LRRK2 (0.47) CYP11B2KDM4EHTTGAAMAPT
SCHEMBL2214626 0.81 CYP2C9 (0.36) KDM4EHTTGAAMAPTRAB9A

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 TDP1 4016/4885CYP11B2 206/4885KDM4E 4617/4885

“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.