SCHEMBL2396653

SCHEMBL2396653

COc1cccc(CC(OC)c2nnc(-c3ccc4[nH]cnc4c3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 14/20 0.58
QPCT Q16769 11/20 0.46
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL2397418 0.90 QPCTL (0.57) QPCTLQPCTPIM1PIM3PRKACA
SCHEMBL2399874 0.89 QPCTL (0.46) QPCTLQPCT
SCHEMBL2395994 0.89 QPCTL (0.49) QPCTLQPCT
SCHEMBL2397076 0.86 QPCTL (0.46) QPCTLQPCTROCK1
SCHEMBL2396832 0.86 QPCTL (0.50) QPCTLQPCTPRKACAROCK1
SCHEMBL2397375 0.81 QPCTL (0.85) QPCTLQPCT
SCHEMBL2398225 0.80 QPCT (0.46) QPCTLQPCT
SCHEMBL2396266 0.77 QPCTL (0.46) QPCTLQPCTROCK1
SCHEMBL2409817 0.75 QPCT (0.42) QPCTLQPCTPRKACAROCK1
SCHEMBL2421431 0.74 QPCT (0.39) QPCTLQPCTPRKACAROCK1

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 5 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
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

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 5/4885QPCT 1/4885PIM1 1676/4885

“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.