SCHEMBL559367

SCHEMBL559367

COc1ncccc1NC(=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
IRAK1 P51617 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
LCK P06239 2/20 0.45
KDR P35968 1/20 0.45
JAK3 P52333 1/20 0.45
MAPK14 Q16539 1/20 0.45
TYK2 P29597 4/20 0.44
FLT3 P36888 2/20 0.44
TYRO3 Q06418 2/20 0.44
MERTK Q12866 2/20 0.44
GAS6 Q14393 2/20 0.44
AXL P30530 1/20 0.44
MAPK1 P28482 6/20 0.43
CDK2 P24941 3/20 0.43
CCNE1 P24864 2/20 0.43
PDE4D Q08499 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 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
SCHEMBL2260474 0.86 MCHR1 (0.46) LCKKDRJAK3MAPK14CDK2
SCHEMBL559541 0.86 MCHR1 (0.46) LCKKDRJAK3MAPK14CDK2
SCHEMBL558885 0.81 SMN1; SMN2 (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL2255142 0.81 SMN1; SMN2 (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL559328 0.81 HPGDS (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL2259374 0.81 HPGDS (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL559375 0.81 SYK (0.52) SYKIRAK1IRAK4TYK2FLT3
SCHEMBL2257915 0.81 SYK (0.52) SYKIRAK1IRAK4TYK2FLT3
SCHEMBL2257519 0.80 MEN1 (0.49) MAPK1CDK2CCNE1CDK7CCNH
SCHEMBL559474 0.80 MEN1 (0.49) MAPK1CDK2CCNE1CDK7CCNH

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 7 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

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.