SCHEMBL2934053

SCHEMBL2934053

CC(C)(C)OC(=O)N1CCN(CCn2cc3cc(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.49
GRIA1 P42261 1/20 0.42
MAPK14 Q16539 3/20 0.42
PLK1 P53350 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
KDM1A O60341 1/20 0.39
F2RL1 P55085 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
MAPK13 O15264 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
ACKR3 P25106 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL2927906 0.86 SQOR (0.43) SQORGRIA1MAPK14PLK1GPR119
SCHEMBL1386719 0.82 GPR119 (0.44) SQORGRIA1GPR119JAK2JAK3
SCHEMBL2927353 0.81 SQOR (0.42) SQORGRIA1MAPK14PLK1GPR119
SCHEMBL29894134 0.75 MAPK14 (0.50) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL2931587 0.75 GPR119 (0.43) GRIA1MAPK14GPR119MAPK11JAK2
SCHEMBL1386122 0.73 MAPK14 (0.48) GRIA1MAPK14MAPK13CSNK1DCSNK1E
SCHEMBL2925845 0.72 GPR119 (0.41) GRIA1MAPK14GPR119MAPK11JAK2
SCHEMBL2926287 0.72 NPY5R (0.41) MAPK14CSNK1DCSNK1EMAPK11
SCHEMBL2931749 0.72 GPR119 (0.43) GRIA1MAPK14GPR119MAPK11JAK2
SCHEMBL2925785 0.72 NAMPT (0.41) GRIA1MAPK14GPR119CSNK1DCSNK1E

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 SQOR 823/4885GRIA1 2222/4885MAPK14 34/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 SQOR 753/4885GRIA1 1663/4885MAPK14 33/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 SQOR 753/4885GRIA1 1663/4885MAPK14 33/4885

“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.