SCHEMBL2928707

SCHEMBL2928707

Fc1ccc(-c2nc3nn(CCCOC4CCCCO4)cc3c(-c3ccco3)c2-c2ccncc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 6/20 0.35
ADORA2A P29274 5/20 0.35
ADORA2B P29275 4/20 0.35
TGFBR1 P36897 2/20 0.35
TGFBR2 P37173 1/20 0.35
MAPK14 Q16539 1/20 0.34
P2RX3 P56373 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MET P08581 1/20 0.32
PTAFR P25105 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
SCHEMBL2931628 0.92 L3MBTL1 (0.39) L3MBTL1TGFBR1TGFBR2MAPK14P2RX3
SCHEMBL2927278 0.87 L3MBTL1 (0.40) L3MBTL1MAPK14KDM4CMET
SCHEMBL1384569 0.85 L3MBTL1 (0.39) L3MBTL1TGFBR1TGFBR2MAPK14P2RX3
SCHEMBL1386294 0.83 MAPK14 (0.37) ADORA3L3MBTL1ADORA1ADORA2ATGFBR1
SCHEMBL1386148 0.81 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BMAPK14
SCHEMBL1386960 0.80 KDM4C (0.39) ADORA3L3MBTL1ADORA2AADORA2BTGFBR1
SCHEMBL1384356 0.79 MAPK14 (0.39) L3MBTL1TGFBR1TGFBR2MAPK14P2RX3
SCHEMBL29652678 0.76 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BMAPK14
SCHEMBL1386702 0.75 MAPK14 (0.46) ADORA3ADORA1ADORA2AADORA2BMAPK14
SCHEMBL1385784 0.72 ADORA3 (0.44) ADORA3L3MBTL1ADORA1ADORA2AADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 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 (3 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 ADORA3 3983/4885L3MBTL1 3675/4885ADORA1 4004/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 ADORA3 4277/4885L3MBTL1 4259/4885ADORA1 4368/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 ADORA3 4277/4885L3MBTL1 4259/4885ADORA1 4368/4885

“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.