SCHEMBL559471

SCHEMBL559471

O=C(NCCn1cccn1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 16/20 0.45
TYRO3 Q06418 15/20 0.45
GAS6 Q14393 14/20 0.45
FLT3 P36888 9/20 0.45
MAPK10 P53779 3/20 0.45
JUN P05412 1/20 0.45
AXL P30530 1/20 0.43
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 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
SCHEMBL2255468 1.00 MERTK (0.45) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL559528 0.86 MAPK10 (0.50) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL2258155 0.86 MAPK10 (0.50) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL2330843 0.85 MERTK (0.48) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL2258369 0.85 MAPK10 (0.44) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL558819 0.85 MERTK (0.48) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL558976 0.85 MAPK10 (0.44) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL2256601 0.85 JUN (0.53) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL559186 0.85 JUN (0.53) MERTKTYRO3GAS6FLT3MAPK10
SCHEMBL558604 0.85 MAPK10 (0.55) MERTKTYRO3GAS6FLT3MAPK10

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 MERTK 2882/4885TYRO3 691/4885GAS6 2254/4885
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.