SCHEMBL6822344

SCHEMBL6822344

CC(C)n1nc(-c2c(-c3ccccc3)nn3cccc(OCCN4CCOCC4)c23)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
PDE9A O76083 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
POLB P06746 2/20 0.39
CHEK1 O14757 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL6821908 0.85 ADORA1 (0.38) KDM4EADORA1
SCHEMBL6821956 0.83 ADORA1 (0.39) KDM4EADORA2AADORA1L3MBTL1
SCHEMBL6822144 0.83 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL6822507 0.83 HTR7 (0.38) KDM4EADORA2AADORA1
SCHEMBL6822356 0.82 ADORA1 (0.43) ADORA1MEN1KMT2APOLBL3MBTL1
SCHEMBL6824757 0.80 ADORA1 (0.38) KDM4EADORA1MEN1KMT2AMAPK14
SCHEMBL6984311 0.77 MAPK14 (0.44) KDM4EADORA2AADORA1PDE9APDE1A
SCHEMBL6821914 0.76 ADORA1 (0.41) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5150872 0.76 MEN1 (0.46) KDM4EADORA2AADORA1ADORA3ADORA2B
SCHEMBL6822136 0.75 ADORA1 (0.46) ADORA2AADORA1ADORA3ADORA2B

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 KDM4E 3764/4885ADORA2A 34/4885ADORA1 22/4885

“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.