SCHEMBL2212128

SCHEMBL2212128

C[C@@H]1CN(c2ccc(-c3ccncc3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
NPC1 O15118 1/20 0.41
GAK O14976 4/20 0.40
GAA P10253 2/20 0.37
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2214863 0.88 GAK (0.36) MTORGAKGAAKDM4EHTT
SCHEMBL2213594 0.87 MTOR (0.43) MTORNPC1GAKGAAALDH1A1
SCHEMBL2215311 0.86 GAK (0.39) MTORGAKGAALRRK2KDM4E
SCHEMBL2212136 0.85 TDP1 (0.39) MTORGAKGAALRRK2KDM4E
SCHEMBL2215269 0.83 MTOR (0.47) MTORGAKGAAALDH1A1L3MBTL1
SCHEMBL2213596 0.82 GAK (0.37) MTORGAKGAAKDM4EHTT
SCHEMBL2213578 0.82 LRRK2 (0.44) MTORGAKLRRK2L3MBTL1PIK3R1
SCHEMBL2215615 0.82 TDP1 (0.42) MTORNPC1GAAKDM4EHTT
SCHEMBL2217662 0.81 LRRK2 (0.41) MTORGAKGAALRRK2ALDH1A1
SCHEMBL2216705 0.81 PIK3R1 (0.44) MTORGAKGAAKDM4EHTT

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 MTOR 722/4885NPC1 531/4885GAK 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.