SCHEMBL2709405

SCHEMBL2709405

CCOn1cnc2cnc3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.37
MPO P05164 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GPR3 P46089 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.36
MAPK10 P53779 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 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
SCHEMBL2707327 0.83 KDM4E (0.39) MPONPC1KDM4EGPR3GAA
SCHEMBL311098 0.82 PDE5A (0.40) ALDH1A1LMNAKDM4EGPR3SMN1; SMN2
SCHEMBL1486425 0.82 KDM4E (0.41) RAB9ANPC1KDM4EGPR3SMN1; SMN2
Water SCHEMBL10734180 0.79 RAB9A (0.32) ATMRAB9AMPOLMNANPC1
SCHEMBL2707342 0.79 KDM4E (0.36) ALDH1A1KDM4EGPR3GAAHSD17B10
SCHEMBL2708519 0.79 ALDH1A1 (0.38) ALDH1A1MPOLMNAKDM4EGPR3
SCHEMBL10727388 0.77 ERN1 (0.41) RAB9ANPC1KDM4EGPR3SMN1; SMN2
SCHEMBL10727242 0.77 USP5 (0.39) RAB9ALMNANPC1SMN1; SMN2GAA
SCHEMBL17670058 0.77 RAB9A (0.41) RAB9AMPOLMNANPC1SMN1; SMN2
SCHEMBL9601955 0.76 SMN1; SMN2 (0.42) RAB9ALMNANPC1KDM4EGPR3

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-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 ATM 3747/4885ALDH1A1 1123/4885RAB9A 2327/4885

“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.