SCHEMBL5454737

SCHEMBL5454737

Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NCCCN3CCOCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.48
GSK3B P49841 2/20 0.46
CDK4 P11802 1/20 0.46
MAPK13 O15264 6/20 0.45
MAPK12 P53778 6/20 0.45
MAPK11 Q15759 6/20 0.45
MAPK14 Q16539 6/20 0.45
SLC2A1 P11166 1/20 0.44
MKNK1 Q9BUB5 3/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EIF2AK2 P19525 1/20 0.41
RAC1 P63000 1/20 0.39
MAPK10 P53779 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
SCHEMBL5464011 0.84 MKNK1 (0.47) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5455092 0.84 MKNK1 (0.47) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5453421 0.84 MERTK (0.45) CSNK1DGSK3BMAPK14MAPK10
SCHEMBL5456838 0.83 CSNK1D (0.51) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5462491 0.83 CSNK1D (0.51) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5449738 0.81 KDR (0.46) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL6108122 0.81 MKNK1 (0.46) CSNK1DGSK3BMKNK1KDM4EALDH1A1
SCHEMBL6184465 0.80 GSK3B (0.55) CSNK1DGSK3BMAPK14
SCHEMBL6112342 0.80 KDR (0.41) CSNK1DCDK4MAPK14MAPK10
SCHEMBL6183945 0.79 GSK3B (0.61) GSK3BMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP claimed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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 (1 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 CSNK1D 411/4885GSK3B 2943/4885CDK4 293/4885

“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.