SCHEMBL559816

SCHEMBL559816

CN1CCCC(COc2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.52
JUN P05412 2/20 0.52
MAPK8 P45983 8/20 0.42
MAPK9 P45984 6/20 0.42
CDK1 P06493 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
MAPK14 Q16539 1/20 0.40
TNIK Q9UKE5 1/20 0.40
MCHR1 Q99705 3/20 0.40
GUCY1B2 O75343 1/20 0.40
GUCY1A2 P33402 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CDK4 P11802 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
SCHEMBL10166315 1.00 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9CDK1
SCHEMBL559817 1.00 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9CDK1
SCHEMBL560064 0.86 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9CDK1
SCHEMBL10166337 0.86 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9CDK1
SCHEMBL560063 0.86 MAPK10 (0.51) MAPK10JUNMAPK8MAPK9CDK1
SCHEMBL559151 0.86 JUN (0.52) MAPK10JUNMAPK8
SCHEMBL559150 0.86 JUN (0.52) MAPK10JUNMAPK8
SCHEMBL10166313 0.83 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9MAPK14
SCHEMBL558845 0.83 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9MAPK14
SCHEMBL558844 0.83 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9MAPK14

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 3 patents. 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
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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
US-20100056506-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.