SCHEMBL4553632

SCHEMBL4553632

Cc1ccccc1-c1nc2ccc(C3CCNCC3)cc2c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TLR9 Q9NR96 8/20 0.40
TLR8 Q9NR97 8/20 0.40
PTGFR P43088 2/20 0.39
DHODH Q02127 2/20 0.39
TLR7 Q9NYK1 7/20 0.39
SOS1 Q07889 2/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
P2RY14 Q15391 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL4553637 0.84 TBK1 (0.43) TBK1GABRA1GABRB2TLR9TLR8
SCHEMBL4360503 0.77 ADORA2A (0.56) DHODHHSD17B10CSNK2A2CSNK2BADORA2A
SCHEMBL24108914 0.70 ADORA2A (0.42) GABRA1GABRB2TLR9PTGFRDHODH
SCHEMBL18089277 0.69 PTGFR (0.66) PTGFRDHODH
SCHEMBL18075804 0.68 DHODH (0.69) PTGFRDHODH
SCHEMBL5785541 0.67 ADORA2A (0.52) GABRA1GABRB2CYP1A2HSD17B10ADORA2A
SCHEMBL24108930 0.66 TLR9 (0.43) TLR9TLR8PTGFRDHODHTLR7
Hydrochloric Acid SCHEMBL5787873 0.66 ADORA2A (0.51) GABRA1GABRB2CYP1A2HSD17B10ADORA2A
SCHEMBL13646142 0.65 ACMSD (0.50) TBK1TLR9TLR8DHODHTLR7
SCHEMBL10887487 0.64 GABRA1 (0.48) GABRA1GABRB2CYP1A2HSD17B10ADORA2A

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-20090270450-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-10-29 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-20090270450-A1 CHEMICAL COMPOUNDS CSF1R, CSF3R, FLT3 TBK1 616/4885GABRA1 1123/4885GABRB2 1504/4885

“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.