SCHEMBL559375

SCHEMBL559375

COc1ncccc1NC(=O)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
IRAK1 P51617 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
MAPK10 P53779 4/20 0.50
JUN P05412 2/20 0.50
TYRO3 Q06418 5/20 0.48
MERTK Q12866 5/20 0.48
FLT3 P36888 4/20 0.48
GAS6 Q14393 4/20 0.48
AXL P30530 4/20 0.48
TYK2 P29597 4/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
CNR1 P21554 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
SCHEMBL2257915 1.00 SYK (0.52) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL2258095 0.85 MAPK10 (0.50) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL558450 0.85 MAPK10 (0.50) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL2257466 0.82 MAPK10 (0.51) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL558493 0.82 MAPK10 (0.51) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL559367 0.81 SYK (0.46) SYKIRAK1IRAK4MAPK10TYRO3
SCHEMBL2259620 0.81 MAPK10 (0.50) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL558797 0.81 MAPK10 (0.50) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL560144 0.80 MAPK10 (0.50) SYKIRAK1IRAK4MAPK10JUN
SCHEMBL2256966 0.80 MAPK10 (0.58) SYKIRAK4MAPK10JUNTYRO3

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 SYK 1052/4885IRAK1 257/4885IRAK4 545/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SYK 1052/4885IRAK1 257/4885IRAK4 545/4885

“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.