SCHEMBL2215943

SCHEMBL2215943

COc1nccnc1-c1cc(C=O)c(N2C[C@@H](C)O[C@@H](C)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LRRK2 Q5S007 10/20 0.38
GAK O14976 4/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 1/20 0.33
MTOR P42345 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
SCHEMBL4515404 0.83 LRRK2 (0.45) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2216078 0.80 KDM4E (0.42) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2215831 0.80 KDM4E (0.40) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2213873 0.78 LRRK2 (0.40) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2216454 0.78 LRRK2 (0.46) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2216542 0.77 LRRK2 (0.43) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2213462 0.77 TSHR (0.38) KDM4EHTTTSHRNPSR1GAK
SCHEMBL2215921 0.76 KDM4E (0.39) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2213101 0.76 KMT2A (0.40) KDM4EHTTTSHRNPSR1LRRK2
SCHEMBL2215681 0.76 KDM4E (0.39) KDM4EHTTTSHRNPSR1LRRK2

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 KDM4E 4617/4885HTT 3702/4885TSHR 3897/4885

“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.