SCHEMBL6822080

SCHEMBL6822080

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(N4CCN(S(C)(=O)=O)CC4)cc23)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
HSD17B10 Q99714 3/20 0.36
USP2 O75604 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 3/20 0.34
DCTPP1 Q9H773 1/20 0.34
RORC P51449 2/20 0.34
CYP1A2 P05177 1/20 0.34
IGF1R P08069 1/20 0.33
KHK P50053 1/20 0.33

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
SCHEMBL6822079 0.91 GAA (0.39) ADORA1HSD17B10USP2HPGDSMN1; SMN2
SCHEMBL6822552 0.91 ADORA1 (0.40) ADORA1SMN1; SMN2MAPTKMT2AADORA2A
SCHEMBL6822496 0.89 ADORA1 (0.42) ADORA1MAPTADORA2AKHK
SCHEMBL6822588 0.87 ADORA1 (0.41) ADORA1HSD17B10USP2SMN1; SMN2MAPK1
SCHEMBL6822109 0.86 ADORA1 (0.41) ADORA1SMN1; SMN2ALDH1A1MAPTADORA2A
SCHEMBL6822056 0.86 KHK (0.43) ADORA1MAPTKMT2AIGF1RKHK
SCHEMBL6822057 0.86 ADORA1 (0.41) ADORA1HSD17B10USP2SMN1; SMN2MAPK1
SCHEMBL6818374 0.85 BRD4 (0.39) ADORA1HSD17B10USP2ALDH1A1ADORA2A
SCHEMBL6821993 0.85 KHK (0.41) ADORA1HSD17B10HPGDSMN1; SMN2MAPK1
SCHEMBL6822097 0.85 ADORA1 (0.39) ADORA1MAPK1ALDH1A1MAPTKMT2A

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 22/4885HSD17B10 962/4885USP2 4704/4885

“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.