SCHEMBL559483

SCHEMBL559483

CN(C)CCNC(=O)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.51
MAPK10 P53779 1/20 0.51
AOX1 Q06278 1/20 0.49
RAD52 P43351 4/20 0.48
MERTK Q12866 10/20 0.46
TYRO3 Q06418 10/20 0.46
AXL P30530 1/20 0.46
GAS6 Q14393 8/20 0.44
FLT3 P36888 5/20 0.44
SMARCA2 P51531 1/20 0.44
UHRF1 Q96T88 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
SELP P16109 1/20 0.41

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
SCHEMBL559484 1.00 JUN (0.51) JUNMAPK10AOX1RAD52MERTK
SCHEMBL2256601 0.89 JUN (0.53) JUNMAPK10MERTKTYRO3AXL
SCHEMBL559186 0.89 JUN (0.53) JUNMAPK10MERTKTYRO3AXL
SCHEMBL559345 0.88 MAPK10 (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL559344 0.88 MAPK10 (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL559601 0.87 MAPK10 (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL559177 0.87 JUN (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL2258657 0.87 JUN (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL2260037 0.87 MAPK10 (0.52) JUNMAPK10MERTKTYRO3AXL
SCHEMBL558604 0.87 MAPK10 (0.55) JUNMAPK10MERTKTYRO3AXL

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 9 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 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
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 JUN 36/4885MAPK10 32/4885AOX1 2009/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 JUN 36/4885MAPK10 32/4885AOX1 2009/4885

“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.