SCHEMBL6822059

SCHEMBL6822059

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OC4CCOCC4)cc23)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
ADORA1 P30542 1/20 0.36
AXL P30530 3/20 0.34
TYRO3 Q06418 3/20 0.34
MERTK Q12866 3/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
GRIA1 P42261 1/20 0.33
IGF1R P08069 1/20 0.33
LRRK2 Q5S007 1/20 0.32
S1PR3 Q99500 1/20 0.32
USP1 O94782 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
Hydrochloric Acid SCHEMBL6821473 0.89 HRH3 (0.42) HRH3ADORA1AXLTYRO3MERTK
Hydrochloric Acid SCHEMBL6822212 0.89 HRH3 (0.40) HRH3ADORA1AXLTYRO3MERTK
SCHEMBL6824743 0.87 HRH3 (0.39) HRH3ADORA1SLC16A3SLC16A1
SCHEMBL6921388 0.87 IKBKB (0.39) HRH3ADORA1
SCHEMBL6822339 0.85 CACNB4 (0.38) HRH3ADORA1SLC16A3SLC16A1
SCHEMBL6821959 0.83 ADORA1 (0.42) ADORA1IGF1RPDE1APDE1BPDE1C
SCHEMBL6822033 0.82 ADORA1 (0.41) ADORA1IGF1RPDE1APDE1BPDE1C
SCHEMBL6822257 0.82 ADORA1 (0.43) ADORA1GRIA1IGF1RPDE1APDE1B
SCHEMBL6822144 0.82 ADORA2A (0.47) ADORA1
SCHEMBL6822058 0.81 ADORA1 (0.42) HRH3ADORA1IGF1R

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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 HRH3 275/4885ADORA1 22/4885AXL 3075/4885

“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.