SCHEMBL3047680

SCHEMBL3047680

Cc1csc(C(=O)C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.61
KDR P35968 3/20 0.43
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TP53 P04637 1/20 0.34
GSK3B P49841 3/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL2774609 0.82 DAO (0.59) DAOKDRMAPTNPSR1CASP3
SCHEMBL7368425 0.78 DAO (0.71) DAOKDRMAPTNPSR1CASP3
SCHEMBL5859674 0.78 DAO (0.71) DAOKDRMAPTNPSR1CASP3
SCHEMBL130041 0.76
SCHEMBL10274837 0.75 DAO (0.61) DAOMAPTNPSR1CASP3SENP7
SCHEMBL27251712 0.75 ALAD (0.38) DAOKDRMAPTNPSR1CES2
SCHEMBL28980662 0.75 CES2 (0.34) DAOMAPTNPSR1CES2CES1
SCHEMBL1786459 0.74
SCHEMBL3428971 0.74
SCHEMBL279422 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 DAO 2471/4885KDR 2095/4885MAPT 4506/4885

“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.