SCHEMBL1385646

SCHEMBL1385646

Cc1ccc(-c2nc3[nH]nc(C)c3c(-c3ccc(C)nc3)c2-c2ccncc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HPGDS O60760 2/20 0.37
NQO2 P16083 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
PIM1 P11309 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
LRRK2 Q5S007 2/20 0.31
WNT3A P56704 1/20 0.31
MAPK14 Q16539 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
MAPK11 Q15759 1/20 0.30
NTRK1 P04629 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30

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
SCHEMBL1385467 0.88 MAPK1 (0.39) MAPK1NQO2ADORA2AADORA2BMAPK14
SCHEMBL2931965 0.81 MAPK14 (0.47) ADORA2AADORA2BMAPK14MAPK11CSNK1A1
SCHEMBL2929958 0.81 AKT2 (0.44) ADORA2ALRRK2MAPK14MAPK11
SCHEMBL2926811 0.79 MAPK1 (0.41) MAPK1HPGDSNQO2ADORA2AADORA2B
SCHEMBL1384949 0.68 MAPK14 (0.44) MAPK1ADORA2AADORA2BMAPK14MAPK11
SCHEMBL30731123 0.67 MAPT (0.50) MAPK1HPGDSNPC1RAB9AWNT3A
SCHEMBL12145549 0.67 MAPT (0.50) MAPK1HPGDSNPC1RAB9AWNT3A
SCHEMBL26828208 0.66 AKT2 (0.56) MAPK1HPGDSNPC1PKMRAB9A
SCHEMBL1385360 0.66 MAPK14 (0.44) ADORA2AADORA2BMAPK14MAPK11CSNK1A1
SCHEMBL2930864 0.66 MAPK14 (0.44) ADORA2AADORA2BMAPK14MAPK11CSNK1A1

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 MAPK1 1/4885HPGDS 512/4885NQO2 1061/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK1 1/4885HPGDS 600/4885NQO2 1152/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 MAPK1 1/4885HPGDS 600/4885NQO2 1152/4885

“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.