SCHEMBL6704175

SCHEMBL6704175

c1cncc(CCCOCCn2cnc3c2c2ccccc2n2nnnc32)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE10A Q9Y233 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTAFR P25105 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
CHRNA7 P36544 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
POLB P06746 1/20 0.32
GUSB P08236 1/20 0.32

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
SCHEMBL6696022 0.82 ALDH1A1 (0.38) L3MBTL1PDE10AALDH1A1GAAPTAFR
SCHEMBL6701743 0.80 TLR7 (0.37) ALDH1A1GAASMN1; SMN2HRH1HTR6
SCHEMBL544697 0.76 TLR7 (0.48) CYP3A4CYP2D6CYP2C9LMNAPOLB
SCHEMBL7107891 0.74 KDM4E (0.36) KDM4ECYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL7106797 0.71 HPGD (0.40) KDM4EALDH1A1GAAPTAFRLMNA
Trifluoroacetic Acid SCHEMBL6698416 0.70 TLR7 (0.45) L3MBTL1PTAFRLMNACHRNA7POLB
SCHEMBL6700349 0.69 CYP2A6 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL6702071 0.66 TLR7 (0.50) LMNASMN1; SMN2POLB
SCHEMBL6107460 0.66 TLR7 (0.55) LMNASMN1; SMN2POLB
SCHEMBL6698894 0.65 TLR7 (0.51) KDM4EL3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 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 (2 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 KDM4E 752/4885L3MBTL1 3874/4885CYP3A4 166/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 KDM4E 752/4885L3MBTL1 3874/4885CYP3A4 166/4885

“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.