SCHEMBL27213619

SCHEMBL27213619

CCCCOc1nc(CNCc2cccc(CN3CCCC3)c2)c(NC(=O)O)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
TLR8 Q9NR97 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
MCHR1 Q99705 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACP1 P24666 1/20 0.37
BCL2A1 Q16548 1/20 0.37

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
SCHEMBL30947335 0.91 TLR7 (0.39) TLR7TLR8CYP3A4CYP2D6KDM4E
SCHEMBL24732916 0.91 TLR7 (0.39) TLR7TLR8CYP3A4CYP2D6KDM4E
SCHEMBL27213622 0.90 MEN1 (0.38) TLR7MMP1MMP9MMP13ADAM17
SCHEMBL28802701 0.88 TLR7 (0.43) TLR7TLR8CYP3A4CYP2D6KDM4E
SCHEMBL27213597 0.87 PTGDR (0.37) TLR7CYP3A4MAPTMMP1MMP9
SCHEMBL27213599 0.87 MEN1 (0.41) TLR7KDM4ENPC1MEN1KMT2A
SCHEMBL24732772 0.85 CYP2D6 (0.38) TLR7TLR8CYP3A4CYP2D6KDM4E
SCHEMBL27213626 0.84 POLB (0.40) CYP2D6MAPTKMT2AHRH3
SCHEMBL24732885 0.84 TSHR (0.38) TLR7CYP3A4CYP2D6KDM4ENPC1
SCHEMBL24732683 0.81 MEN1 (0.36) TLR7KDM4ENPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 TLR7 1/4885TLR8 3/4885CYP3A4 454/4885

“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.