SCHEMBL1033073

SCHEMBL1033073

O=c1[nH]c(-c2ccccc2Br)nc2c1C=CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DCUN1D1 Q96GG9 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MPI P34949 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGES O14684 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDR P35968 2/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL1033826 0.84 ALDH1A1 (0.41) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL1033816 0.81 TNKS (0.46) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL1031426 0.76 HPGD (0.58) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL1036534 0.74 HPGD (0.71) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL1032368 0.73 TNKS2 (0.52) HPGDALDH1A1TSHRMAPK1GUSB
SCHEMBL9956185 0.69 TYMS (0.41) TYMS
SCHEMBL19673807 0.69 PARP1 (0.45) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL1034105 0.69 HTT (0.38) HPGDALDH1A1GAAMAPTKMT2A
SCHEMBL1036392 0.69 KMT2A (0.44) HPGDALDH1A1HSD17B10MAPTMAPK1
SCHEMBL802560 0.67 GUSB (0.68) KDM4EHPGDALDH1A1HSD17B10GAA

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 8 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 claimed
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
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

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