SCHEMBL6822101

SCHEMBL6822101

CC(C)n1nc(-c2c(-c3ccccc3)nn3cc(OCCN(C)C)ccc23)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.42
ADORA2A P29274 2/20 0.42
HRH3 Q9Y5N1 1/20 0.38
LSS P48449 1/20 0.37
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
TOP2A P11388 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MET P08581 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
LTA4H P09960 1/20 0.35
MCHR1 Q99705 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL6822090 0.86 ADORA1 (0.43) ADORA1ADORA2AHRH3FGFR1SRC
SCHEMBL6822146 0.86 ADORA1 (0.41) ADORA1HRH3KDM4EALDH1A1
SCHEMBL6818708 0.85 ADORA1 (0.45) ADORA1HRH3
SCHEMBL6825199 0.85 CASR (0.41) ADORA1ADORA2AHRH3FGFR1KDM4E
SCHEMBL6821995 0.83 ADORA1 (0.41) ADORA1ADORA2AHRH3LSSFGFR1
SCHEMBL6822081 0.83 ADORA1 (0.37) ADORA1HRH3KDM4EALDH1A1
SCHEMBL6821461 0.81 HRH3 (0.41) ADORA1HRH3KDM4EALDH1A1SIGMAR1
SCHEMBL6818718 0.81 HTT (0.42) ADORA1KDM4EALDH1A1
SCHEMBL6822021 0.81 KDM4E (0.42) ADORA1KDM4EALDH1A1
SCHEMBL6822093 0.80 SMN1; SMN2 (0.41) ADORA1ALDH1A1

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 ADORA1 22/4885ADORA2A 34/4885HRH3 275/4885

“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.