SCHEMBL1033873

SCHEMBL1033873

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MTHFD2 P13995 3/20 0.44
TNKS2 Q9H2K2 6/20 0.44
WNT3A P56704 4/20 0.44
TNKS O95271 3/20 0.44
PARP1 P09874 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.42
DCUN1D2 Q6PH85 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SPR P35270 2/20 0.41
HTR2C P28335 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 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
SCHEMBL1033822 0.87 TNKS2 (0.55) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1031426 0.82 HPGD (0.58) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1036814 0.82 ALDH1A1 (0.58) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL9070566 0.78 TNKS (0.63) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1032502 0.78 TNKS2 (0.68) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1035972 0.74 HPGD (0.71) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1036534 0.74 HPGD (0.71) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1035604 0.72 TNKS2 (0.70) HPGDTNKS2WNT3ATNKSPARP1
SCHEMBL14107495 0.72 HTR2C (0.49) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1036763 0.71 CSNK2A2 (0.54) TNKS2WNT3A

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
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
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
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

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 HPGD 217/4885KDM4E 1799/4885ALDH1A1 1936/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK HPGD 259/4885KDM4E 1861/4885ALDH1A1 2043/4885

“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.