SCHEMBL6821995

SCHEMBL6821995

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
MET P08581 5/20 0.40
ADORA2A P29274 1/20 0.39
LSS P48449 1/20 0.38
TOP2A P11388 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
CXCR1 P25024 1/20 0.37

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 0.96 ADORA1 (0.43) ADORA1METADORA2ATOP2AHRH3
SCHEMBL6822546 0.90 ADORA1 (0.41) ADORA1HRH3SRC
SCHEMBL6822138 0.90 ADORA1 (0.45) ADORA1ADORA2AHRH3SRC
SCHEMBL6824716 0.89 ADORA1 (0.40) ADORA1ADORA2AHRH3FGFR1
SCHEMBL6818520 0.89 ADORA1 (0.40) ADORA1ADORA2AHRH3
SCHEMBL6822100 0.88 ADORA1 (0.40) ADORA1HRH3
SCHEMBL6822058 0.88 ADORA1 (0.42) ADORA1ADORA2AHRH3SRC
SCHEMBL6821898 0.87 ADORA1 (0.39) ADORA1
SCHEMBL6821914 0.87 ADORA1 (0.41) ADORA1ADORA2AHRH3
SCHEMBL6822608 0.86 CMKLR1 (0.41) ADORA1SRC

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 22/4885MET 4005/4885ADORA2A 34/4885

“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.