SCHEMBL2706419

SCHEMBL2706419

COn1c(C(C)C)nc2cnc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
PDPK1 O15530 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 2/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 2/20 0.34
MPO P05164 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 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
SCHEMBL2707323 0.87 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19KDM4EGPR3
SCHEMBL9601962 0.81 PDE10A (0.42) CYP1A2KDM4EGPR3CNR2LMNA
Hydrochloric Acid SCHEMBL9602473 0.79 PDE10A (0.41) CYP1A2KDM4EGPR3CNR2LMNA
SCHEMBL2707399 0.77 KDM4E (0.38) CYP1A2CYP2C9CYP2C19KDM4EGPR3
SCHEMBL2708995 0.77 KDM4E (0.40) CYP1A2CYP2C9CYP2C19KDM4EGPR3
SCHEMBL2707491 0.77 TLR7 (0.48) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL2708176 0.75 MEN1 (0.43) CYP1A2CYP2C9CYP2C19KDM4ECNR2
SCHEMBL2708444 0.75 TLR7 (0.48) CYP1A2CYP2C9CYP2C19LMNAPOLB
SCHEMBL2709418 0.74 ALDH1A1 (0.45) CYP1A2CYP2C9CYP2C19KDM4EGPR3
SCHEMBL3969027 0.73 LMNA (0.54) KDM4ENPSR1CNR2LMNAPOLB

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 CYP1A2 1836/4885CYP2C9 4063/4885CYP2C19 3888/4885

“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.