SCHEMBL6824772

SCHEMBL6824772

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.44
TP53 P04637 2/20 0.37
IGF1R P08069 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.34
ESR1 P03372 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CMKLR1 Q99788 1/20 0.32

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
SCHEMBL6822022 0.87 ADORA1 (0.45) ADORA1TP53POLBKMT2ASMN1; SMN2
SCHEMBL6825199 0.85 CASR (0.41) ADORA1IGF1RKDM4E
SCHEMBL7039587 0.84 ADORA1 (0.57) ADORA1IGF1RMAPK1
SCHEMBL6822009 0.83 ADORA1 (0.45) ADORA1TP53IGF1RPOLBKMT2A
SCHEMBL6821514 0.83 MEN1 (0.44) ADORA1TP53POLBKMT2ASMN1; SMN2
SCHEMBL6824345 0.83 ADORA1 (0.42) ADORA1TP53POLBKMT2A
SCHEMBL6818708 0.82 ADORA1 (0.45) ADORA1KMT2AMAPK1CMKLR1
SCHEMBL6824859 0.81 ADORA1 (0.41) ADORA1SMN1; SMN2KDM4E
SCHEMBL6821964 0.80 ADORA1 (0.42) ADORA1TP53KMT2A
SCHEMBL6822066 0.80 ADORA1 (0.37) ADORA1TP53IGF1RCMKLR1

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 4085/4885IGF1R 4150/4885

“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.