SCHEMBL6818850

SCHEMBL6818850

COc1cccc2c(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
PDE3A Q14432 2/20 0.40
PDE5A O76074 1/20 0.40
ADORA1 P30542 1/20 0.37
GRIA1 P42261 2/20 0.37
MAPK14 Q16539 1/20 0.35
TP53 P04637 2/20 0.34
KMT2A Q03164 1/20 0.34
CASR P41180 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL6822070 0.85 ADORA1 (0.41) PDE4BPDE3APDE5AADORA1GRIA1
SCHEMBL6821479 0.84 ADORA1 (0.38) ADORA1GRIA1TP53KMT2ANPSR1
SCHEMBL6818407 0.83 ADORA1 (0.45) PDE4BPDE3APDE5AADORA1MAPK14
SCHEMBL6822088 0.81 ADORA1 (0.48) PDE4BPDE3APDE5AADORA1MAPK14
SCHEMBL6822254 0.79 TP53 (0.42) ADORA1TP53KMT2ASMN1; SMN2
SCHEMBL7039587 0.78 ADORA1 (0.57) PDE4BPDE3APDE5AADORA1MAPK14
SCHEMBL6822604 0.78 PDE4B (0.51) PDE4BPDE3APDE5AGRIA1MAPK14
SCHEMBL6825199 0.77 CASR (0.41) ADORA1MAPK14CASR
SCHEMBL6821959 0.77 ADORA1 (0.42) ADORA1CASRPDE1APDE1BPDE1C
SCHEMBL8193926 0.75 ADORA1 (0.45) PDE3APDE5AADORA1

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 PDE4B 563/4885PDE3A 137/4885PDE5A 187/4885

“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.