SCHEMBL6809404

SCHEMBL6809404

CCCc1nc2c(N)nc3c(c2n1NC(C)C)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 5/20 0.31
ACHE P22303 4/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.30
BPTF Q12830 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
MAPK10 P53779 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5415222 0.86 CHRNE (0.34) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL29374514 0.85 TLR7 (0.37) TLR7MEN1KMT2ATSHRKDM4E
SCHEMBL4753517 0.85 TLR7 (0.37) TLR7MEN1KMT2ATSHRKDM4E
SCHEMBL5808239 0.73 ACHE (0.31) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL5618479 0.73 TLR7 (0.43) TLR7MEN1KMT2A
SCHEMBL5617854 0.73 TLR7 (0.38) TLR7
SCHEMBL8113805 0.72 TLR7 (0.39) TLR7MEN1KMT2ANOS3NOS1
SCHEMBL4757171 0.72 TLR7 (0.61) TLR7
SCHEMBL12888375 0.71 TLR7 (0.38) TLR7MEN1KMT2ANOS3NOS1
SCHEMBL5618759 0.70 TLR7 (0.35) TLR7

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-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885MEN1 2757/4885KMT2A 2385/4885

“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.