SCHEMBL5058190

SCHEMBL5058190

S=C1NC(=NC2CCCc3ccccc32)C(c2cc(Br)cs2)N1c1ccc2nc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.39
▸ CDK1 P06493 2/20 0.38
▸ HSD11B1 P28845 4/20 0.34

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
SCHEMBL14076651 1.00 QPCT (0.39) QPCTCDK1HSD11B1
SCHEMBL5058191 1.00 QPCT (0.39) QPCTCDK1HSD11B1
SCHEMBL5062214 0.92 QPCT (0.45) QPCTCDK1HSD11B1
SCHEMBL5062212 0.92 QPCT (0.45) QPCTCDK1HSD11B1
SCHEMBL14076541 0.92 QPCT (0.45) QPCTCDK1HSD11B1
SCHEMBL14217703 0.91 CDK1 (0.40) QPCTCDK1HSD11B1
SCHEMBL5063915 0.81 QPCT (0.42) QPCTCDK1HSD11B1
SCHEMBL5063919 0.81 QPCT (0.42) QPCTCDK1HSD11B1
SCHEMBL14076445 0.81 QPCT (0.42) QPCTCDK1HSD11B1
SCHEMBL5057979 0.81 QPCT (0.36) QPCTCDK1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP claimed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US claimed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885CDK1 2373/4885HSD11B1 804/4885

“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.

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