SCHEMBL4949009

SCHEMBL4949009

CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccc(F)c(F)c3F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.42
PDE7A Q13946 1/20 0.38
MAPK14 Q16539 8/20 0.36
MAPK11 Q15759 7/20 0.36
MAPK13 O15264 6/20 0.36
MAPK12 P53778 6/20 0.36
KCNH2 Q12809 1/20 0.36
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDE2A O00408 1/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE6H Q13956 1/20 0.31

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
SCHEMBL4946667 0.92 PDE7A (0.38) HSP90AB1PDE7AMAPK14MAPK11MAPK13
SCHEMBL1065138 0.88 HSP90AB1 (0.43) HSP90AB1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1065530 0.86 HSP90AB1 (0.43) HSP90AB1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1065155 0.84 MAPK14 (0.50) HSP90AB1PDE7AMAPK14MAPK11MAPK13
SCHEMBL4949365 0.84 PDE7A (0.39) PDE7A
SCHEMBL4470039 0.83 MAPK14 (0.46) HSP90AB1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1064227 0.83 HSP90AB1 (0.44) HSP90AB1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1063961 0.83 HSP90AB1 (0.44) HSP90AB1PDE7AMAPK14MAPK11MAPK13
SCHEMBL1063029 0.79 HSP90AB1 (0.46) HSP90AB1MAPK14MAPK11MAPK13MAPK12
SCHEMBL14289717 0.79 HSP90AB1 (0.46) HSP90AB1MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 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 (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-20080268044-A1 Novel Process and Formulations UGT1A7, UGT2B7, CYP3A7 HSP90AB1 4596/4885PDE7A 68/4885MAPK14 2969/4885

“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.