SCHEMBL4455486

SCHEMBL4455486

NC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.49
PARP15 Q460N3 1/20 0.49
AOC3 Q16853 4/20 0.43
GPR119 Q8TDV5 3/20 0.42
MAPK1 P28482 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
RPS6KB1 P23443 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
CHEK2 O96017 2/20 0.37
GRIN2B Q13224 1/20 0.37
ACVR1 Q04771 1/20 0.37
ACHE P22303 1/20 0.37
RBP4 P02753 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
SCHEMBL14191529 0.87 GPR119 (0.57) PARP10PARP15GPR119CHEK2
SCHEMBL4460540 0.84 CHRM4 (0.45) AOC3GPR119MAPK1
SCHEMBL3978055 0.83 GPR119 (0.60) PARP10PARP15GPR119FFAR4CHEK2
SCHEMBL4456659 0.83 PARP15 (0.48) PARP10PARP15AOC3GPR119CHEK2
SCHEMBL4457521 0.83 AOC3 (0.41) AOC3GPR119FFAR4GRIN2BACHE
SCHEMBL4056993 0.80 PARP10 (0.45) PARP10PARP15GPR119FFAR4IRAK4
SCHEMBL4455518 0.77 GRIN2B (0.46) AOC3GPR119GRIN2BACHE
SCHEMBL4452034 0.77 CA2 (0.44) AOC3GPR119GRIN2BACHE
SCHEMBL20893503 0.75 GPR119 (0.44) AOC3GPR119GRIN2BACHERBP4
SCHEMBL4457000 0.74 PTGS2 (0.44) AOC3GPR119GRIN2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 PARP10 3610/4885PARP15 3609/4885AOC3 999/4885

“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.