SCHEMBL6821908

SCHEMBL6821908

CCCOc1cccn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
EGFR P00533 1/20 0.34
TSHR P16473 2/20 0.33
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6821956 0.92 ADORA1 (0.39) ADORA1ALDH1A1HRH3TSHRFABP3
SCHEMBL6822507 0.90 HTR7 (0.38) ADORA1ALDH1A1HRH3KDM4ESMN1; SMN2
SCHEMBL6822356 0.89 ADORA1 (0.43) ADORA1FABP3FABP4GLASMN1; SMN2
SCHEMBL6824757 0.87 ADORA1 (0.38) ADORA1ALDH1A1HRH3MAPTKDM4E
SCHEMBL6822344 0.85 KDM4E (0.43) ADORA1KDM4E
SCHEMBL6822091 0.81 ADORA1 (0.41) ADORA1ALDH1A1HRH3KDM4ESMN1; SMN2
SCHEMBL6822546 0.80 ADORA1 (0.41) ADORA1HRH3EGFRMAPT
SCHEMBL6818684 0.77 ADORA1 (0.35) ADORA1ALDH1A1HRH3MAPTSMN1; SMN2
Bromide SCHEMBL6822519 0.76 HRH3 (0.36) ADORA1HRH3
SCHEMBL7039587 0.76 ADORA1 (0.57) ADORA1EGFRMAPK1

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 22/4885ALDH1A1 564/4885HRH3 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.