SCHEMBL2215027

SCHEMBL2215027

COc1ccncc1-c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GAK O14976 3/20 0.37
CSNK2A1 P68400 1/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.35
GSK3A P49840 1/20 0.35
MAP4K1 Q92918 1/20 0.34
GSK3B P49841 2/20 0.33
ABL1 P00519 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE1B Q01064 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL2215034 0.84 MEN1 (0.41) LRRK2NPC1MEN1ALOX12RAB9A
SCHEMBL2216454 0.80 LRRK2 (0.46) LRRK2NPC1MEN1ALOX12RAB9A
SCHEMBL2212128 0.80 MTOR (0.45) LRRK2NPC1MEN1KMT2AGAK
SCHEMBL2215615 0.79 TDP1 (0.42) NPC1RAB9AKMT2ATSHRNPSR1
SCHEMBL2213594 0.79 MTOR (0.43) NPC1MEN1KMT2AGAKTSHR
SCHEMBL2215304 0.79 LRRK2 (0.42) LRRK2NPC1MEN1ALOX12RAB9A
SCHEMBL2215311 0.77 GAK (0.39) LRRK2MEN1RAB9AKMT2AGAK
SCHEMBL2214863 0.76 GAK (0.36) MEN1RAB9AKMT2AGAKMAPT
SCHEMBL2217662 0.74 LRRK2 (0.41) LRRK2GAKTSHRNPSR1ALDH1A1
SCHEMBL2214794 0.74 GAA (0.34) NPC1MEN1RAB9AKMT2AGAK

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 414/4885NPC1 531/4885MEN1 2336/4885

“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.