SCHEMBL3979565

SCHEMBL3979565

CCCNCc1ccc(B(O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.57
LIPG Q9Y5X9 6/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TRPV1 Q8NER1 4/20 0.50
MGLL Q99685 1/20 0.50
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
F11 P03951 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CHRM2 P08172 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL13150992 0.84 LPL (0.61) LPLLIPGCA1CA2TRPV1
SCHEMBL330333 0.81 LPL (0.45) LPLLIPGCA1CA2TRPV1
SCHEMBL19272703 0.80 LPL (0.46) LPLLIPGCA1CA2TRPV1
SCHEMBL19475082 0.79 KDM4E (0.66) LPLLIPGCA1CA2HRH4
SCHEMBL3622998 0.78 HRH4 (0.52) CA1CA2HRH4HRH3SMN1; SMN2
SCHEMBL2946360 0.78 ENPP2 (0.44) LPLLIPGCA1CA2TRPV1
SCHEMBL13536962 0.77 L3MBTL1 (0.60) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL19210009 0.76 LTA4H (0.46) LPLLIPGTRPV1SMN1; SMN2MEN1
SCHEMBL6356134 0.76 TRPV1 (0.58) LPLLIPGCA1CA2TRPV1
SCHEMBL6351213 0.76 LPL (0.53) LPLLIPGCA1CA2TRPV1

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
WO-2016025551-A1 TREHALOSE HYDROGELS FOR STABILIZATION AND DELIVERY OF PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-18 WO disclosed
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 LPL 269/4885LIPG 166/4885CA1 2640/4885

“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.