SCHEMBL3972644

SCHEMBL3972644

COCCNCc1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.52
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SCN8A Q9UQD0 2/20 0.44
CHRM2 P08172 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL12615490 0.79 ENPP2 (0.71) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL3977586 0.78 ENPP2 (0.56) ENPP2LPLLIPGSCN8ACHRM2
SCHEMBL10272437 0.78 ALDH1A1 (0.56) L3MBTL1SCN8ACHRM2KDM4EALDH1A1
SCHEMBL6352816 0.77 ENPP2 (0.58) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL3622330 0.76 CYP1A2 (0.60) L3MBTL1CHRM2KDM4EALDH1A1HTT
SCHEMBL535057 0.76 LPL (0.66) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL8528 0.75 ENPP2 (0.61) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL3724201 0.75 ENPP2 (0.60) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL6358240 0.75 ENPP2 (0.51) ENPP2LPLLIPGKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7598195 0.75 L3MBTL1 (0.50) L3MBTL1SCN8ACHRM2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ENPP2 1398/4885LPL 269/4885LIPG 166/4885

“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.