SCHEMBL15416003

SCHEMBL15416003

CC1(C)C(=O)NCCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ELANE P08246 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
EPHX2 P34913 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1126125 0.82 GAA (0.50) GAAGSK3AGSK3BSIGMAR1MEN1
SCHEMBL10948050 0.80 CCR5 (0.38) GAAELANEDDB1CRBNGSK3A
SCHEMBL18096404 0.79 DDB1 (0.44) GAAELANEDDB1CRBNEPHX2
SCHEMBL20326 0.78 SIGMAR1 (0.46) GAASIGMAR1POLBALDH1A1
SCHEMBL2314565 0.77 HSD17B10 (0.45) GAAEPHX2MEN1KMT2APOLB
SCHEMBL11632093 0.75 ERCC1 (0.38) GAAELANEDDB1CRBNOPRK1
SCHEMBL22679235 0.74 EPHX2 (0.33) CRBNEPHX2TSHR
SCHEMBL23041363 0.74 SLC6A9 (0.47) CRBNOPRM1OPRD1OPRK1OPRL1
SCHEMBL14966562 0.73 GAA (0.45) GAAELANEDDB1CRBNSIGMAR1
SCHEMBL24696030 0.73 GAA (0.49) GAAELANEDDB1CRBNSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
EP-2870140-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS Lupin Limited (IN) 2015-05-13 EP disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 WO disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 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 (1 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-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 GAA 3529/4885ELANE 3707/4885DDB1 123/4885

“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.