SCHEMBL6454448

SCHEMBL6454448

COc1ccc(-c2ccn(-c3ncccc3C)n2)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.45
TLR7 Q9NYK1 4/20 0.45
SYK P43405 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAOB P27338 1/20 0.41
CAPN1 P07384 1/20 0.41
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIT P10721 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL6454408 0.84 IDH1 (0.46) CAPN1L3MBTL1NPC1RAB9A
SCHEMBL6451311 0.79 SYK (0.40) SYKMAOBCAPN1PDE10AKIT
SCHEMBL6530306 0.78 SYK (0.47) TLR9TLR7SYKMAOBKIT
SCHEMBL6454370 0.78 ALDH1A1 (0.47) SYKCYP11B1CYP11B2CAPN1L3MBTL1
SCHEMBL6448367 0.74 MAPT (0.39) L3MBTL1NPC1RAB9A
SCHEMBL6448429 0.74 ALDH1A1 (0.47) SYKKITNPC1RAB9A
SCHEMBL6453926 0.70 LMNA (0.37) NPC1RAB9A
SCHEMBL6452344 0.70 TLR9 (0.51) TLR9TLR7SYKCYP11B1CYP11B2
SCHEMBL5759570 0.70 TLR9 (0.51) TLR9TLR7SYKCYP11B1CYP11B2
SCHEMBL6451085 0.70 IDH1 (0.43) CAPN1NPC1RAB9A

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC TLR9 3277/4885TLR7 961/4885SYK 4094/4885

“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.