SCHEMBL558797

SCHEMBL558797

O=C(Nc1ccccn1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.50
JUN P05412 1/20 0.50
TYRO3 Q06418 5/20 0.47
MERTK Q12866 5/20 0.47
FLT3 P36888 4/20 0.47
GAS6 Q14393 4/20 0.47
MAPK8 P45983 4/20 0.45
MAPK9 P45984 3/20 0.45
AXL P30530 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL2259620 1.00 MAPK10 (0.50) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL10165880 0.88 MAPK10 (0.50) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2259801 0.85 MAPK10 (0.48) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL559354 0.85 MAPK10 (0.48) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL559569 0.85 MAPK10 (0.52) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2263545 0.85 MAPK10 (0.52) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL558493 0.84 MAPK10 (0.51) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2257466 0.84 MAPK10 (0.51) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256528 0.84 MAPK10 (0.56) MAPK10JUNTYRO3MERTKFLT3
SCHEMBL2256524 0.84 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 10 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
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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.