SCHEMBL4455461

SCHEMBL4455461

O=C1CNC(=O)N1Cc1cc[c]cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.42
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
RIN1 Q13671 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
TNKS O95271 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL3318940 0.81 GSK3A (1.00) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL6293317 0.80 KMT2A (0.73) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL30953279 0.80 GSK3A (0.71) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL29234520 0.79 GSK3A (0.69) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL8320050 0.79 SMN1; SMN2 (0.73) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL5311390 0.79 GSK3A (0.69) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL7263122 0.79 GSK3A (0.69) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL7267266 0.78 GSK3A (0.63) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL4457536 0.77 CA12 (0.53) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL378362 0.76 GSK3A (0.65) GSK3AGSK3BKMT2AMEN1GAA

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 GSK3A 1042/4885GSK3B 891/4885KMT2A 4781/4885

“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.