SCHEMBL2213166

SCHEMBL2213166

C[C@@H]1CN(c2nc(F)c(C#Cc3cnccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FGFR4 P22455 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL2213615 0.86 GAA (0.39) KDM4EHTTGAAL3MBTL1FGFR4
SCHEMBL3068291 0.83 KDM4E (0.44) KDM4EHTTGAATDP1MAPT
SCHEMBL3070258 0.83 KDM4E (0.39) KDM4EHTTTDP1MAPTRAB9A
SCHEMBL2216378 0.82 KDM4E (0.36) KDM4EHTTGAAL3MBTL1TDP1
SCHEMBL3062271 0.77 KDM4E (0.39) KDM4EHTTTDP1MAPTRAB9A
SCHEMBL2216696 0.77 TSHR (0.40) KDM4EHTTGAAL3MBTL1TDP1
SCHEMBL2214872 0.70 TDP1 (0.40) KDM4EHTTGAAL3MBTL1TDP1
SCHEMBL2215049 0.69 ALDH1A1 (0.38) KDM4EHTTGAAL3MBTL1TDP1
SCHEMBL2214488 0.68 OPRK1 (0.48) KDM4EHTTGAAL3MBTL1MAPT
SCHEMBL3068016 0.67 ERN1 (0.40) KDM4EHTTGAAFGFR4GRM5

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 3702/4885GAA 3274/4885

“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.