SCHEMBL1385328

SCHEMBL1385328

OCCNCCn1cc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
ADORA3 P0DMS8 9/20 0.36
ADORA1 P30542 8/20 0.36
ADORA2A P29274 7/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PDE10A Q9Y233 3/20 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
SCHEMBL2929768 0.90 MAPK14 (0.41) MAP4K4MAPK9CSNK1A1CSNK1DGSK3B
SCHEMBL1384405 0.89 CSNK1D (0.40) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL1387083 0.87 MAP4K4 (0.46) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL2931567 0.84 MAPK14 (0.42) MAP4K4MAPK9CSNK1A1CSNK1DGSK3B
SCHEMBL2926579 0.83 ADORA3 (0.39) ADORA3ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL29652641 0.82 ADORA2A (0.39) ADORA3ADORA1ADORA2APDE10ABRAF
SCHEMBL1385243 0.82 ADORA2A (0.42) ADORA3ADORA1ADORA2APDE10ABRAF
SCHEMBL2926830 0.80 MAPK14 (0.45) CSNK1A1CSNK1DALDH1A1
SCHEMBL1384574 0.79 MAPK14 (0.39) MAPK9CSNK1DGSK3BADORA3ADORA1
SCHEMBL29652658 0.79 MAPK14 (0.41) CSNK1A1CSNK1DGSK3BADORA3ADORA1

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 14 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 claimed
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US claimed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US claimed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed
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 PRKD3 221/4885MAP4K4 24/4885FRK 824/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 PRKD3 126/4885MAP4K4 32/4885FRK 686/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 PRKD3 126/4885MAP4K4 32/4885FRK 686/4885

“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.