SCHEMBL2397479

SCHEMBL2397479

Fc1ccccc1Cn1cnnc1-c1ccc2[nH]cnc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 5/20 0.64
ROCK2 O75116 2/20 0.39
PAK4 O96013 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 1/20 0.39
TGFBR1 P36897 1/20 0.38
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
KCNH2 Q12809 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
P2RX7 Q99572 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2395237 0.91 QPCTL (0.59) QPCTLTGFBR1P2RX7
SCHEMBL2397851 0.87 QPCTL (0.84) QPCTLP2RX7
SCHEMBL2400435 0.84 QPCTL (0.60) QPCTLP2RX7ADORA2A
SCHEMBL2397290 0.84 QPCTL (0.68) QPCTLP2RX7
SCHEMBL2396164 0.83 QPCTL (0.60) QPCTLP2RX7HPGDTSHR
SCHEMBL2396002 0.83 QPCTL (0.84) QPCTLROCK2PAK4PIM1GSK3B
SCHEMBL2396775 0.82 QPCTL (0.57) QPCTL
SCHEMBL2398286 0.82 QPCTL (0.62) QPCTLROCK2GSK3BP2RX7HPGD
SCHEMBL2397632 0.80 QPCTL (0.62) QPCTLP2RX7
SCHEMBL2397189 0.79 QPCTL (0.66) QPCTLROCK2PIM1GSK3BP2RX7

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 5/4885ROCK2 2210/4885PAK4 3027/4885

“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.