SCHEMBL6824743

SCHEMBL6824743

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(OC4CCN(C(=O)O)CC4)cc23)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
ADORA1 P30542 1/20 0.39
GPR119 Q8TDV5 3/20 0.37
SCD5 Q86SK9 1/20 0.35
EPHX2 P34913 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6921388 0.94 IKBKB (0.39) HRH3ADORA1GPR119SCD5
SCHEMBL6822339 0.93 CACNB4 (0.38) HRH3ADORA1GPR119SCD5SLC16A3
Hydrochloric Acid SCHEMBL6822212 0.90 HRH3 (0.40) HRH3ADORA1
SCHEMBL6822059 0.87 HRH3 (0.37) HRH3ADORA1SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL6821473 0.87 HRH3 (0.42) HRH3ADORA1
SCHEMBL6818748 0.85 ADORA1 (0.40) ADORA1
SCHEMBL6822257 0.82 ADORA1 (0.43) ADORA1
SCHEMBL6822588 0.82 ADORA1 (0.41) ADORA1
SCHEMBL6821959 0.81 ADORA1 (0.42) ADORA1
SCHEMBL6822033 0.81 ADORA1 (0.41) ADORA1

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 3 patents. 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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 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-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 HRH3 275/4885ADORA1 22/4885GPR119 1212/4885

“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.