SCHEMBL5058109

SCHEMBL5058109

O=C1NC(=NCc2cccnc2)C(c2cc(F)cc(F)c2)N1CCCn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
TP53 P04637 11/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 3/20 0.42
MDM2 Q00987 10/20 0.41
CYP11B1 P15538 1/20 0.39
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14076323 1.00 TSHR (0.43) TSHRTP53ALDH1A1RXFP1MDM2
SCHEMBL5058106 1.00 TSHR (0.43) TSHRTP53ALDH1A1RXFP1MDM2
SCHEMBL14076327 0.94 TSHR (0.43) TSHRTP53ALDH1A1RXFP1MDM2
SCHEMBL5056929 0.94 TSHR (0.43) TSHRTP53ALDH1A1RXFP1MDM2
SCHEMBL5056928 0.94 TSHR (0.43) TSHRTP53ALDH1A1RXFP1MDM2
SCHEMBL5062691 0.92 TP53 (0.47) TSHRTP53RXFP1MDM2
SCHEMBL14076331 0.92 TP53 (0.47) TSHRTP53RXFP1MDM2
SCHEMBL5062689 0.92 TP53 (0.47) TSHRTP53RXFP1MDM2
SCHEMBL14076236 0.86 TP53 (0.44) TSHRTP53RXFP1MDM2CYP11B1
SCHEMBL5056624 0.86 TP53 (0.44) TSHRTP53RXFP1MDM2CYP11B1

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 TSHR 1530/4885TP53 4245/4885ALDH1A1 1395/4885

“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.