SCHEMBL3354828

SCHEMBL3354828

CCCCc1nc2ccc3cccnc3c2n1CCCOC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR7 Q9NYK1 7/20 0.37
TLR8 Q9NR97 3/20 0.37
POLB P06746 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL3352658 0.87 TLR7 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19TLR7
SCHEMBL3352435 0.81 TLR7 (0.53) TLR7TLR8
SCHEMBL3354827 0.75 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19TLR7
SCHEMBL3351083 0.74 TLR7 (0.41) ALDH1A1TLR7TLR8MEN1KMT2A
SCHEMBL27666505 0.70 TLR7 (0.44) TLR7TLR8GAAPDE4APDE4B
SCHEMBL3353817 0.69 SMN1; SMN2 (0.56) ALDH1A1TLR7TLR8MEN1KMT2A
SCHEMBL3350626 0.69 TLR7 (0.56) TLR7TLR8
SCHEMBL3355085 0.68 TLR7 (0.45) TLR7KDM4EPDE4APDE4BPDE4C
SCHEMBL5618891 0.67 GAA (0.43) ALDH1A1TLR7TLR8MEN1KMT2A
SCHEMBL5617942 0.67 ENPP2 (0.44) ALDH1A1TLR7TLR8GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678918-B2 Intermediates for imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 US disclosed
US-20080091010-A1 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-04-17 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-20080091010-A1 Intermediates for imidazonaphthyridines IFNG, IRF3, MAVS ALDH1A1 2379/4885CYP1A2 2352/4885CYP2C9 2521/4885

“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.