SCHEMBL558941

SCHEMBL558941

O=C(NCCO)c1cc(F)cc2cnc(NC3CCC(O)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 7/20 0.43
MERTK Q12866 7/20 0.43
GAS6 Q14393 4/20 0.43
AXL P30530 3/20 0.42
MAPK1 P28482 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
CCNT1 O60563 4/20 0.39
PRKD1 Q15139 2/20 0.37
MAPK14 Q16539 3/20 0.37
MEN1 O00255 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37
FLT3 P36888 1/20 0.36

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
SCHEMBL558940 1.00 TYRO3 (0.43) TYRO3MERTKGAS6AXLMAPK1
SCHEMBL10166201 1.00 TYRO3 (0.43) TYRO3MERTKGAS6AXLMAPK1
SCHEMBL559464 0.83 HCAR3 (0.44) CCNT1MAPK14
SCHEMBL559465 0.83 HCAR3 (0.44) CCNT1MAPK14
SCHEMBL10166205 0.83 HCAR3 (0.44) CCNT1MAPK14
SCHEMBL12378876 0.75 MAPK14 (0.49) CCNT1MAPK14
SCHEMBL14391692 0.75 ALOX5AP (0.48) MEN1CACNA1BAPBA1KMT2A
SCHEMBL558762 0.73 LCK (0.42) CCNT1MAPK14FLT3
SCHEMBL558920 0.73 LCK (0.42) CCNT1MAPK14FLT3
SCHEMBL558761 0.73 LCK (0.42) CCNT1MAPK14FLT3

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 3 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-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 (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 TYRO3 691/4885MERTK 2882/4885GAS6 2254/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 TYRO3 691/4885MERTK 2882/4885GAS6 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.