SCHEMBL1032810

SCHEMBL1032810

CCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 12/20 0.46
WNT3A P56704 10/20 0.46
MTHFD2 P13995 4/20 0.45
POLB P06746 1/20 0.43
PARP1 P09874 3/20 0.42
TNKS O95271 3/20 0.41
PDE5A O76074 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL1035636 0.84 PARP1 (0.53) TNKS2WNT3AMTHFD2POLBPARP1
SCHEMBL8258864 0.79 ALDH1A1 (0.45) TNKS2WNT3AMTHFD2PARP1TNKS
SCHEMBL12342943 0.78 WNT3A (0.50) TNKS2WNT3AMTHFD2TNKS
SCHEMBL1033822 0.77 TNKS2 (0.55) TNKS2WNT3AMTHFD2POLBPARP1
SCHEMBL1032348 0.77 TNKS2 (0.46) TNKS2WNT3AMTHFD2PARP1TNKS
SCHEMBL1032502 0.75 TNKS2 (0.68) TNKS2WNT3AMTHFD2PARP1TNKS
SCHEMBL9070566 0.75 TNKS (0.63) TNKS2WNT3AMTHFD2PARP1TNKS
SCHEMBL8262655 0.74 MEN1 (0.46) TNKS2WNT3AMTHFD2POLBPARP1
SCHEMBL7783542 0.73 TNKS2 (0.76) TNKS2WNT3AMTHFD2TNKS
SCHEMBL12377144 0.72 TNKS2 (0.45) TNKS2WNT3AMTHFD2POLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US claimed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 EP claimed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US claimed
EP-1856061-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES Merck Patent GmbH (DE) 2007-11-21 EP claimed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 WO claimed
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 2135/4885MTHFD2 1832/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK TNKS2 616/4885WNT3A 2243/4885MTHFD2 1805/4885

“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.