SCHEMBL3354827

SCHEMBL3354827

CCCCc1nc2nc3ncccc3cc2n1CCCOC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
HDAC1 Q13547 3/20 0.37
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE5A O76074 3/20 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
SCHEMBL3354828 0.75 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19PDE4A
SCHEMBL3352435 0.73 TLR7 (0.53) TLR7
SCHEMBL3352658 0.72 TLR7 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19PDE4A
SCHEMBL9978057 0.62 RAB9A (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL13872490 0.60 TLR8 (0.45) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL31485758 0.60 GAA (0.68) KDM4EGAAHPGDGLAPOLB
SCHEMBL3351083 0.60 TLR7 (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL9977870 0.59 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21540373 0.58 GRM2 (0.44) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL832575 0.58 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19KDM4EPOLB

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.