SCHEMBL2215329

SCHEMBL2215329

COc1ccccc1-c1cnc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
GAK O14976 6/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
TP53 P04637 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL2214152 0.89 LRRK2 (0.48) ERN1GAKKDM4EHTTHPGD
SCHEMBL2215288 0.87 L3MBTL1 (0.44) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2215416 0.84 GAK (0.52) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2214156 0.82 GAK (0.38) ERN1GAKALDH1A1MEN1KMT2A
SCHEMBL2215787 0.80 PIK3CA (0.46) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2217944 0.80 SCN9A (0.43) ERN1GAKALDH1A1MEN1KMT2A
SCHEMBL2216045 0.80 ALDH1A1 (0.37) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2217996 0.80 GAK (0.42) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2247014 0.79 PIK3CA (0.40) GAKALDH1A1MEN1KMT2AKDM4E
SCHEMBL2247007 0.79 PIK3CA (0.40) GAKALDH1A1MEN1KMT2AKDM4E

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 3 patents. 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
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO 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 ERN1 2259/4885PDGFRB 1826/4885PDGFRA 1279/4885

“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.