SCHEMBL3586816

SCHEMBL3586816

O=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.68
SCN2A Q99250 2/20 0.54
TNKS O95271 3/20 0.50
TNKS2 Q9H2K2 3/20 0.50
WNT3A P56704 2/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
PARP1 P09874 2/20 0.46

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
SCHEMBL23575033 0.86 TNKS (0.50) COMTTNKSTNKS2PARP1
SCHEMBL4770414 0.82 NPY5R (0.49)
SCHEMBL11422025 0.82 PIN1 (0.62) COMTSCN2AKDM4E
SCHEMBL4376727 0.81 KDM4E (0.76) COMTKDM4EL3MBTL1
SCHEMBL2433653 0.81 COMT (1.00) COMTSCN2ATNKSTNKS2WNT3A
SCHEMBL3536070 0.81 SCN2A (0.50) SCN2ATNKSTNKS2
SCHEMBL8948970 0.78 KDM6B (0.44)
SCHEMBL31422809 0.75 COMT (0.54) COMTSCN2ATNKSTNKS2WNT3A
SCHEMBL5833712 0.75 COMT (0.65) COMTSCN2ATNKSTNKS2WNT3A
SCHEMBL9205892 0.75 GUSB (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 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-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B COMT 1709/4885SCN2A 4000/4885TNKS 486/4885

“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.