SCHEMBL3630627

SCHEMBL3630627

Fc1ccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.56
▸ SCN9A Q15858 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ SOD1 P00441 2/20 0.46
▸ CFTR P13569 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ TGFBR2 P37173 1/20 0.45

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
SCHEMBL3633096 0.92 NAMPT (0.53) QPCTKDM4EALDH1A1MEN1TP53
SCHEMBL3630804 0.91 KDM4E (0.50) QPCTSCN9AKDM4EMEN1TP53
SCHEMBL3631421 0.89 GSK3A (0.60) QPCTSCN9AKDM4EALDH1A1MEN1
SCHEMBL3627894 0.89 SOD1 (0.52) QPCTALDH1A1MEN1KMT2AGSK3A
SCHEMBL3630638 0.86 SMN1; SMN2 (0.55) QPCTKDM4EMEN1TP53KMT2A
SCHEMBL3630428 0.86 QPCT (0.48) QPCTGSK3AGSK3BNAMPTSOD1
SCHEMBL3631137 0.86 SCN9A (0.56) QPCTSCN9AKDM4EALDH1A1MEN1
SCHEMBL3629430 0.85 CTSK (0.47) QPCTSCN9AKDM4EALDH1A1GSK3A
SCHEMBL3631371 0.84 SMN1; SMN2 (0.60) QPCTSCN9AKDM4EALDH1A1MEN1
SCHEMBL3631375 0.84 CTSK (0.48) QPCTKDM4EALDH1A1HPGDGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 — — EP claimed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US claimed
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 — — EP disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US disclosed
EP-2142536-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 — — EP disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 — — 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-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885SCN9A 1139/4885KDM4E 2257/4885

“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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