SCHEMBL2399121

SCHEMBL2399121

c1ccc(Oc2ccc(Cn3cnnc3-c3ccc4[nH]cnc4c3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 5/20 0.85
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
GRK2 P25098 3/20 0.37
GRK1 Q15835 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
P2RX7 Q99572 2/20 0.37
QPCT Q16769 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRK5 P34947 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2397290 0.90 QPCTL (0.68) QPCTLPRMT5WDR77GRK2GRK1
SCHEMBL2398000 0.87 QPCTL (0.84) QPCTLP2RX7QPCTMEN1KMT2A
SCHEMBL2396993 0.86 QPCTL (0.69) QPCTLPRMT5WDR77P2RX7QPCT
SCHEMBL2399845 0.85 QPCTL (0.63) QPCTLPRMT5WDR77CYP11B1CYP11B2
SCHEMBL2398147 0.85 QPCTL (0.66) QPCTLPRMT5WDR77CYP11B1CYP11B2
SCHEMBL2394851 0.84 QPCTL (0.64) QPCTLPRMT5WDR77P2RX7QPCT
SCHEMBL2398286 0.84 QPCTL (0.62) QPCTLPRMT5WDR77P2RX7QPCT
SCHEMBL2395959 0.82 QPCTL (0.66) QPCTLPRMT5WDR77P2RX7QPCT
SCHEMBL2395188 0.81 QPCTL (0.59) QPCTLPRMT5WDR77P2RX7QPCT
SCHEMBL2398152 0.81 QPCTL (0.58) QPCTLPRMT5WDR77P2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP claimed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US claimed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS QPCTL 5/4885PRMT5 50/4885WDR77 3823/4885

“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.