SCHEMBL1035604

SCHEMBL1035604

O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CC2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 17/20 0.70
WNT3A P56704 12/20 0.70
TNKS O95271 8/20 0.56
PARP1 P09874 4/20 0.56
PARP2 Q9UGN5 4/20 0.51
GUSB P08236 1/20 0.51
PARP14 Q460N5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
AXIN2 Q9Y2T1 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL1035001 0.91 TNKS2 (0.68) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL1033822 0.83 TNKS2 (0.55) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7782072 0.83 TNKS2 (0.71) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL19074087 0.78 TNKS2 (0.58) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL1032368 0.75 TNKS2 (0.52) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL1032502 0.74 TNKS2 (0.68) TNKS2WNT3ATNKSPARP1HPGD
SCHEMBL9070566 0.74 TNKS (0.63) TNKS2WNT3ATNKSPARP1HPGD
SCHEMBL15661448 0.74 HPGD (0.54) TNKS2WNT3ATNKSPARP1MAPK1
SCHEMBL15660095 0.74 LMNA (0.57) TNKS2WNT3ATNKSPARP1MAPK1
SCHEMBL1034949 0.73 TNKS2 (0.56) TNKS2WNT3ATNKSPARP1PARP2

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.