SCHEMBL1033822

SCHEMBL1033822

O=c1[nH]c(-c2ccccc2)nc2c1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 11/20 0.55
WNT3A P56704 9/20 0.55
TNKS O95271 5/20 0.55
PARP1 P09874 4/20 0.55
MTHFD2 P13995 5/20 0.54
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
RNASEH1 O60930 1/20 0.47
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
PARP2 Q9UGN5 2/20 0.47

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
SCHEMBL9070566 0.90 TNKS (0.63) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL1032502 0.90 TNKS2 (0.68) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL1033873 0.87 HPGD (0.58) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL1035604 0.83 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1HPGD
SCHEMBL14344503 0.83 MTHFD2 (0.49) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL14107495 0.83 HTR2C (0.49) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL7783542 0.82 TNKS2 (0.76) TNKS2WNT3ATNKSMTHFD2
SCHEMBL7783581 0.82 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1MTHFD2
SCHEMBL1036763 0.81 CSNK2A2 (0.54) TNKS2WNT3A
SCHEMBL8262621 0.81 TNKS2 (0.50) TNKS2WNT3ATNKSPARP1MTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US disclosed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US disclosed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US disclosed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US disclosed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US disclosed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US disclosed
EP-1856061-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES Merck Patent GmbH (DE) 2007-11-21 EP disclosed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 WO disclosed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 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 (2 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-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, CSNK1E TNKS2 682/4885WNT3A 2135/4885TNKS 461/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK TNKS2 616/4885WNT3A 2243/4885TNKS 394/4885

“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.