SCHEMBL2396733

SCHEMBL2396733

c1nc2ccc(-c3nnco3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 16/20 0.55
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 1/20 0.49
QPCTL Q9NXS2 3/20 0.48
PSMD11 O00231 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL2396669 0.88 ALDH1A1 (0.45) QPCTKDM4EALDH1A1HPGD
SCHEMBL8634290 0.77 QPCT (0.68) QPCTKDM4ENPC1ALDH1A1TP53
SCHEMBL1706004 0.74 QPCT (0.64) QPCTKDM4ENPC1ALDH1A1TP53
SCHEMBL32691830 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDBRD4
SCHEMBL31337313 0.73 TSHR (0.46) KDM4ENPC1ALDH1A1RAB9AHPGD
SCHEMBL3492185 0.72 DYRK1A (0.53) KDM4EALDH1A1HPGD
SCHEMBL29458961 0.72 QPCT (0.54) QPCTKDM4ENPC1ALDH1A1TP53
SCHEMBL17694561 0.71 NOTUM (0.78) KDM4EALDH1A1TP53HPGDMAPT
SCHEMBL2474515 0.71 QPCT (0.60) QPCTKDM4ENPC1ALDH1A1TP53
SCHEMBL11783195 0.70 QPCT (0.59) QPCTKDM4ENPC1ALDH1A1TP53

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 disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP 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 QPCT 1/4885KDM4E 494/4885NPC1 4581/4885

“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.