SCHEMBL1386741

SCHEMBL1386741

Fc1ccc(-c2nc3c(cnn3Cc3cccnc3)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK14 Q16539 6/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL1386735 0.90 CYP17A1 (0.44) ADORA2AADORA1CYP17A1CYP1A2MAPK14
SCHEMBL2932370 0.82 MAPK14 (0.48) CYP17A1CYP1A2MAPK14GSK3BALDH1A1
SCHEMBL2929824 0.82 MAPK14 (0.46) ADORA2AADORA1MAPK14EGFRRAF1
SCHEMBL1386876 0.81 CYP17A1 (0.42) ADORA2AADORA1CYP17A1CYP1A2MAPK14
SCHEMBL2929829 0.81 RIPK3 (0.49) ADORA2AADORA1SMN1; SMN2PTGS1PTGS2
SCHEMBL29652680 0.80 MAPK14 (0.46) ADORA2AADORA1MAPK14EGFRRAF1
SCHEMBL2930799 0.80 MAPK14 (0.44) ADORA2AADORA1MAPK14EGFRRAF1
SCHEMBL2930582 0.79 SIGMAR1 (0.41) ADORA2AADORA1MAPK14EGFRRAF1
SCHEMBL1385841 0.79 MAPK14 (0.40) ADORA2AADORA1PTGS2MAPK14EGFR
SCHEMBL2931824 0.78 CSNK1D (0.48) ADORA2AADORA1MAPK14EGFRRAF1

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 ADORA2A 3463/4885ADORA1 4004/4885PKM 258/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 ADORA2A 3970/4885ADORA1 4368/4885PKM 324/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 ADORA2A 3970/4885ADORA1 4368/4885PKM 324/4885

“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.