SCHEMBL2396002

SCHEMBL2396002

Clc1cccc(Cn2cnnc2-c2ccc3[nH]cnc3c2)c1Cl

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 5/20 0.84
P2RX7 Q99572 14/20 0.56
ROCK2 O75116 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
GSK3B P49841 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL2397851 0.91 QPCTL (0.84) QPCTLP2RX7
SCHEMBL2396678 0.88 QPCTL (0.66) QPCTLP2RX7
SCHEMBL2396207 0.84 QPCTL (0.66) QPCTLP2RX7
SCHEMBL2397189 0.84 QPCTL (0.66) QPCTLP2RX7ROCK2PIM1GSK3B
SCHEMBL2396164 0.83 QPCTL (0.60) QPCTLP2RX7
SCHEMBL2395237 0.83 QPCTL (0.59) QPCTLP2RX7
SCHEMBL2397479 0.83 QPCTL (0.64) QPCTLP2RX7ROCK2PAK4PIM1
SCHEMBL2397290 0.82 QPCTL (0.68) QPCTLP2RX7
SCHEMBL2398152 0.82 QPCTL (0.58) QPCTLP2RX7ROCK2GSK3BAURKB
SCHEMBL2399845 0.81 QPCTL (0.63) QPCTLP2RX7ROCK2PIM1GSK3B

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 9 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-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 5/4885P2RX7 3232/4885ROCK2 2210/4885

“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.