SCHEMBL558952

SCHEMBL558952

OC1CCC(Nc2ncc3cccc(OCC4CCCN5CCCC[C@H]45)c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.48
JUN P05412 2/20 0.48
MAPK8 P45983 10/20 0.44
TDP1 Q9NUW8 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK9 P45984 8/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
TNIK Q9UKE5 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL558951 1.00 MAPK10 (0.48) MAPK10JUNMAPK8TDP1GSK3A
SCHEMBL558950 1.00 MAPK10 (0.48) MAPK10JUNMAPK8TDP1GSK3A
SCHEMBL10166313 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9
SCHEMBL558845 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9
SCHEMBL558844 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9
SCHEMBL559150 0.81 JUN (0.52) MAPK10JUNMAPK8
SCHEMBL559151 0.81 JUN (0.52) MAPK10JUNMAPK8
SCHEMBL559816 0.80 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL10166315 0.80 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL559817 0.80 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9TNIK

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885MAPK8 20/4885

“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.