SCHEMBL2397349

SCHEMBL2397349

c1ccc(CCn2cc(-c3ccc4[nH]cnc4c3)nn2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 5/20 0.83
QPCT Q16769 5/20 0.83
GSK3B P49841 4/20 0.52
FLT3 P36888 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CDK2 P24941 5/20 0.48
ROCK2 O75116 4/20 0.48
PIM1 P11309 3/20 0.48
PRKACA P17612 3/20 0.48
AURKA O14965 2/20 0.48

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
SCHEMBL17733787 0.88 QPCTL (0.66) QPCTLQPCTGSK3BFLT3HDAC3
SCHEMBL2394648 0.86 QPCTL (0.84) QPCTLQPCTCDC7PTGS2MEN1
SCHEMBL2397110 0.86 QPCTL (0.85) QPCTLQPCTFLT3HDAC3HDAC4
SCHEMBL2398103 0.82 QPCTL (0.85) QPCTLQPCTCDK2ROCK2PRKACA
SCHEMBL2397994 0.80 QPCTL (0.83) QPCTLQPCTGSK3BFLT3HDAC3
SCHEMBL17476813 0.80 QPCTL (0.53) QPCTLQPCTGSK3BFLT3CDK2
SCHEMBL13573675 0.77 PTGS2 (0.70) QPCTLQPCTHDAC3HDAC4HDAC1
SCHEMBL2397607 0.72 QPCT (0.82) QPCTLQPCT
SCHEMBL2397499 0.72 QPCT (0.54) QPCTLQPCT
SCHEMBL2396269 0.70 QPCTL (0.82) QPCTLQPCT

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 5/4885QPCT 1/4885GSK3B 1270/4885

“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.