SCHEMBL6822360

SCHEMBL6822360

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(NC(=O)Nc4ccn5nc(-c6ccccc6)c(-c6ccc(=O)n(C(C)C)n6)c5c4)cc23)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.39
IGF1R P08069 1/20 0.38
MAPT P10636 4/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6818390 0.94 ADORA1 (0.44) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6818870 0.93 ADORA1 (0.43) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6989388 0.92 ADORA1 (0.43) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6822479 0.92 TP53 (0.45) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6824283 0.92 ADORA1 (0.42) ADORA1TP53POLBMAPK1ADORA3
SCHEMBL6822610 0.92 ADORA1 (0.42) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6818403 0.88 ADORA1 (0.40) ADORA1TP53POLBIGF1R
SCHEMBL6822191 0.87 ADORA1 (0.45) ADORA1TP53POLBMAPTMAPK1
SCHEMBL6825096 0.85 ADORA1 (0.39) ADORA1TP53POLBIGF1RMAPK1
SCHEMBL6818544 0.85 ADORA1 (0.46) ADORA1TP53POLBIGF1RMAPK1

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 22/4885TP53 4085/4885POLB 2828/4885

“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.