SCHEMBL558250

SCHEMBL558250

O=C(NC1CCOC1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.49
JUN P05412 1/20 0.49
TYRO3 Q06418 6/20 0.48
MERTK Q12866 6/20 0.48
FLT3 P36888 4/20 0.48
GAS6 Q14393 4/20 0.48
AXL P30530 3/20 0.48
BRAF P15056 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK8 P45983 3/20 0.42
MAPK9 P45984 2/20 0.42
HSD11B1 P28845 6/20 0.41
EPHX2 P34913 1/20 0.40
MAPK14 Q16539 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL10166031 1.00 MAPK10 (0.49) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2259853 1.00 MAPK10 (0.49) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2257367 0.94 MAPK10 (0.48) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL10166752 0.94 MAPK10 (0.48) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL559929 0.94 MAPK10 (0.48) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL560142 0.94 TYRO3 (0.54) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256985 0.94 TYRO3 (0.54) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL14391796 0.91 BRAF (0.45) MAPK10JUNBRAFHDAC3HDAC1
SCHEMBL2256528 0.90 MAPK10 (0.56) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256524 0.90 MAPK10 (0.56) MAPK10JUNTYRO3MERTKFLT3

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 8 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-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 MAPK10 32/4885JUN 36/4885TYRO3 691/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885TYRO3 691/4885

“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.