SCHEMBL9979143

SCHEMBL9979143

Nc1nc2ccccc2c2c1nc1n2[C@@H](CCCNC(=O)Nc2ccccc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BTK Q06187 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL2513263 0.90 TLR7 (0.39) TLR7TLR8
SCHEMBL9979161 0.89 TLR7 (0.44) TLR7TLR8
SCHEMBL9979300 0.88 TLR7 (0.38) TLR7TLR8
SCHEMBL9979428 0.88 TLR7 (0.47) TLR7KDM4EALDH1A1TLR8
SCHEMBL9979077 0.87 MTNR1A (0.40) TLR7ALDH1A1TLR8
SCHEMBL9979057 0.86 TLR7 (0.39) TLR7TLR8
SCHEMBL11917315 0.86 TLR7 (0.40) TLR7TLR8
SCHEMBL2513545 0.86 TLR7 (0.40) TLR7TLR8
SCHEMBL19917075 0.86 TLR7 (0.37) TLR7TLR8
SCHEMBL9979339 0.85 BTK (0.35) KDM4EALDH1A1BTKHDAC1HDAC8

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-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 TLR7 171/4885KDM4E 649/4885ALDH1A1 1204/4885

“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.