SCHEMBL558493

SCHEMBL558493

O=C(Nc1ccncc1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.51
JUN P05412 1/20 0.51
MERTK Q12866 10/20 0.47
TYRO3 Q06418 9/20 0.47
AXL P30530 7/20 0.47
MAPK8 P45983 4/20 0.46
MAPK9 P45984 3/20 0.46
GAS6 Q14393 6/20 0.44
FLT3 P36888 5/20 0.44
JAK2 O60674 1/20 0.41
PRKCI P41743 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SYK P43405 1/20 0.41
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL2257466 1.00 MAPK10 (0.51) MAPK10JUNMERTKTYRO3AXL
SCHEMBL559698 0.90 MAPK10 (0.52) MAPK10JUNMERTKTYRO3AXL
SCHEMBL2261729 0.90 MAPK10 (0.52) MAPK10JUNMERTKTYRO3AXL
SCHEMBL559524 0.85 TYRO3 (0.57) MAPK10JUNMERTKTYRO3AXL
SCHEMBL2260565 0.85 TYRO3 (0.57) MAPK10JUNMERTKTYRO3AXL
SCHEMBL2256524 0.85 MAPK10 (0.56) MAPK10JUNMERTKTYRO3AXL
SCHEMBL2256528 0.85 MAPK10 (0.56) MAPK10JUNMERTKTYRO3AXL
SCHEMBL2259620 0.84 MAPK10 (0.50) MAPK10JUNMERTKTYRO3AXL
SCHEMBL558797 0.84 MAPK10 (0.50) MAPK10JUNMERTKTYRO3AXL
SCHEMBL558826 0.84 MAPK10 (0.50) MAPK10JUNMERTKTYRO3AXL

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 MAPK10 32/4885JUN 36/4885MERTK 2882/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885MERTK 2882/4885

“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.