SCHEMBL3821092

SCHEMBL3821092

O=C1C(O)=C(c2c[nH]c3ccccc23)C(c2cnc3ccccc3c2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
QPCT Q16769 5/20 0.37
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TDO2 P48775 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PIM1 P11309 3/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL29410576 0.86 QPCT (0.42) QPCT
SCHEMBL3811417 0.86 QPCT (0.42) QPCT
SCHEMBL4303915 0.83 QPCT (0.40) QPCTPIM1MAPTALDH1A1
SCHEMBL4293553 0.83 TDO2 (0.42) QPCTTDO2
SCHEMBL12852141 0.83 QPCT (0.49) QPCTTDO2
SCHEMBL4300179 0.83 QPCT (0.38) PDGFRBPDGFRAQPCTPDE10APIM1
SCHEMBL4297946 0.82 QPCT (0.39) QPCTMEN1KMT2AALDH1A1
SCHEMBL4299229 0.82 HPGD (0.38) QPCTPDE10AMEN1KMT2ASIRT2
SCHEMBL4301833 0.81 CCR1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4296079 0.81 QPCT (0.37) QPCTTDO2MEN1KMT2ASIRT2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP claimed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US claimed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US claimed
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP disclosed
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
EP-2089383-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES Probiodrug AG (DE) 2009-08-19 EP disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 WO disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL PDGFRB 886/4885PDGFRA 893/4885QPCT 4/4885

“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.