SCHEMBL558929

SCHEMBL558929

CCN1CCC(Oc2cccc3cnc(NC4CCC(O)CC4)nc23)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.49
JUN P05412 2/20 0.49
TNIK Q9UKE5 1/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
MAPK8 P45983 7/20 0.42
MAPK9 P45984 5/20 0.42
MCHR1 Q99705 4/20 0.42
CDK1 P06493 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 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
SCHEMBL558928 1.00 MAPK10 (0.49) MAPK10JUNTNIKJAK2JAK1
SCHEMBL10166326 1.00 MAPK10 (0.49) MAPK10JUNTNIKJAK2JAK1
SCHEMBL559322 0.88 MAPK10 (0.53) MAPK10JUNTNIKJAK2JAK1
SCHEMBL10166333 0.88 MAPK10 (0.53) MAPK10JUNTNIKJAK2JAK1
SCHEMBL559321 0.88 MAPK10 (0.53) MAPK10JUNTNIKJAK2JAK1
SCHEMBL558422 0.87 MAPK10 (0.53) MAPK10JUNTNIKJAK2JAK1
SCHEMBL558421 0.87 MAPK10 (0.53) MAPK10JUNTNIKJAK2JAK1
SCHEMBL558890 0.82 TNIK (0.56) MAPK10JUNTNIKJAK2JAK1
SCHEMBL558889 0.82 TNIK (0.56) MAPK10JUNTNIKJAK2JAK1
SCHEMBL558834 0.81 ROCK2 (0.43) MAPK10JUNTNIKJAK2JAK1

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 36/4885TNIK 1616/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885TNIK 1616/4885

“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.