SCHEMBL2729617

SCHEMBL2729617

CC(c1c(Br)c2ccccc2c[n+]1[O-])N1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 3/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL2729350 0.86 ALDH1A1 (0.33) TDP1LMNATP53NPSR1MAPK1
SCHEMBL4099395 0.85 TDP1 (0.40) TDP1LMNATP53NPSR1MAPK1
SCHEMBL30121106 0.77 POLB (0.35) POLB
SCHEMBL15445446 0.77 POLB (0.35) POLB
SCHEMBL2720285 0.75 NCEH1 (0.38) POLB
SCHEMBL2730524 0.71 NPSR1 (0.39) TDP1LMNATP53NPSR1MAPK1
SCHEMBL2720195 0.70 NCEH1 (0.38) LMNATP53MAPK1NPC1POLB
SCHEMBL2717796 0.70 CA1 (0.43) TDP1NPC1CASP3POLBALDH1A1
SCHEMBL6923507 0.67 POLB (0.49) TDP1LMNAPOLBALDH1A1KMT2A
SCHEMBL6923510 0.67 POLB (0.49) TDP1LMNAPOLBALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 TDP1 2752/4885LMNA 2393/4885TP53 311/4885

“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.