SCHEMBL6824757

SCHEMBL6824757

COc1cccn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
MAPK14 Q16539 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL6821956 0.89 ADORA1 (0.39) ADORA1ALDH1A1TP53MAPTHRH3
SCHEMBL6822356 0.87 ADORA1 (0.43) ADORA1MEN1KMT2ATP53
SCHEMBL6821908 0.87 ADORA1 (0.38) ADORA1ALDH1A1MAPTHRH3KDM4E
SCHEMBL6818684 0.87 ADORA1 (0.35) ADORA1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL6822091 0.85 ADORA1 (0.41) ADORA1ALDH1A1MEN1KMT2ATP53
SCHEMBL6822507 0.85 HTR7 (0.38) ADORA1ALDH1A1TP53HRH3KDM4E
SCHEMBL6822344 0.80 KDM4E (0.43) ADORA1MAPK14MEN1KMT2AKDM4E
SCHEMBL7039587 0.80 ADORA1 (0.57) ADORA1MAPK14PDE4BMAPK1
SCHEMBL6825137 0.79 ADORA1 (0.36) ADORA1TP53MAPK1
Bromide SCHEMBL6822519 0.78 HRH3 (0.36) ADORA1HRH3

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 3 patents. 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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO 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 22/4885MAPK14 3737/4885PTGS1 210/4885

“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.