SCHEMBL2255116

SCHEMBL2255116

O=C(NCCN1CCOCC1)c1cccc2cnc(NC3CCC(O)CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 7/20 0.60
TYRO3 Q06418 5/20 0.55
GAS6 Q14393 4/20 0.55
PSMD14 O00487 1/20 0.48
STAMBP O95630 1/20 0.48
FLT3 P36888 3/20 0.48
AXL P30530 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KMT2A Q03164 2/20 0.45
JUN P05412 1/20 0.45
MAPK10 P53779 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL558897 1.00 MERTK (0.60) MERTKTYRO3GAS6PSMD14STAMBP
SCHEMBL2261720 0.84 KDM4E (0.49) MERTKTYRO3GAS6FLT3AXL
SCHEMBL559858 0.84 KDM4E (0.49) MERTKTYRO3GAS6FLT3AXL
SCHEMBL559345 0.84 MAPK10 (0.52) MERTKTYRO3GAS6FLT3AXL
SCHEMBL559344 0.84 MAPK10 (0.52) MERTKTYRO3GAS6FLT3AXL
SCHEMBL2262153 0.83 JUN (0.45) MERTKTYRO3GAS6FLT3AXL
SCHEMBL559306 0.83 JUN (0.45) MERTKTYRO3GAS6FLT3AXL
SCHEMBL558976 0.83 MAPK10 (0.44) MERTKTYRO3GAS6FLT3AXL
SCHEMBL2258369 0.83 MAPK10 (0.44) MERTKTYRO3GAS6FLT3AXL
SCHEMBL559186 0.83 JUN (0.53) MERTKTYRO3GAS6FLT3AXL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MERTK 2882/4885TYRO3 691/4885GAS6 2254/4885

“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.