SCHEMBL2707307

SCHEMBL2707307

Clc1nc2c(c3[nH]cnc13)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CSNK2A1 P68400 1/20 0.36
ACHE P22303 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 3/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
DPP4 P27487 1/20 0.34
PARP1 P09874 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
CHRNE Q04844 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL1140881 0.80 ACHE (0.41) MAPK1ALDH1A1HPGDACHEBCHE
SCHEMBL6244651 0.79 ACHE (0.40) MAPK1NPSR1ALDH1A1HPGDACHE
SCHEMBL6930107 0.77 ACHE (0.40) MAPK1NPSR1ALDH1A1HPGDACHE
SCHEMBL5356574 0.71 BCHE (0.41) MAPK1ALDH1A1ACHESMN1; SMN2BCHE
SCHEMBL8121994 0.68 HPGD (0.50) MAPK1HPGDACHEBCHEKDM4E
SCHEMBL30538677 0.67 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1456870 0.67 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11324919 0.66 CSNK2A1 (0.55) ALDH1A1HPGDCSNK2A1SMN1; SMN2DPP4
SCHEMBL11300565 0.64 ALDH1A1 (0.40) MAPK1ALDH1A1CSNK2A1SMN1; SMN2DPP4
SCHEMBL30663427 0.64 CSNK2A1 (0.47) ALDH1A1HPGDCSNK2A1SMN1; SMN2DPP4

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 NSD2 3583/4885MAPK1 2336/4885NPSR1 4299/4885

“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.