SCHEMBL558422

SCHEMBL558422

CN1CCC(Oc2cccc3cnc(NC4CCC(O)CC4)nc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.53
JUN P05412 2/20 0.53
JAK2 O60674 4/20 0.52
JAK1 P23458 4/20 0.52
TYK2 P29597 4/20 0.52
JAK3 P52333 4/20 0.52
TNIK Q9UKE5 1/20 0.52
CDK1 P06493 1/20 0.46
MAPK8 P45983 8/20 0.43
MAPK9 P45984 6/20 0.43
MAPK14 Q16539 1/20 0.43
CSF1R P07333 1/20 0.40
KDR P35968 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RIPK2 O43353 1/20 0.40

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
SCHEMBL558421 1.00 MAPK10 (0.53) MAPK10JUNJAK2JAK1TYK2
SCHEMBL559322 0.95 MAPK10 (0.53) MAPK10JUNJAK2JAK1TYK2
SCHEMBL10166333 0.95 MAPK10 (0.53) MAPK10JUNJAK2JAK1TYK2
SCHEMBL559321 0.95 MAPK10 (0.53) MAPK10JUNJAK2JAK1TYK2
SCHEMBL558889 0.88 TNIK (0.56) MAPK10JUNJAK2JAK1TYK2
SCHEMBL558890 0.88 TNIK (0.56) MAPK10JUNJAK2JAK1TYK2
SCHEMBL10166326 0.87 MAPK10 (0.49) MAPK10JUNJAK2JAK1TYK2
SCHEMBL558928 0.87 MAPK10 (0.49) MAPK10JUNJAK2JAK1TYK2
SCHEMBL558929 0.87 MAPK10 (0.49) MAPK10JUNJAK2JAK1TYK2
SCHEMBL10165882 0.87 TNIK (0.55) MAPK10JUNJAK2JAK1TYK2

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 36/4885JAK2 54/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885JAK2 54/4885

“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.