SCHEMBL4046309

SCHEMBL4046309

NCc1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 1/20 0.54
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
PARP1 P09874 15/20 0.43
LCK P06239 1/20 0.41
PRKACA P17612 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL4051794 0.87 HPGD (0.58) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4054668 0.80 HPGD (0.49) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4049901 0.80 HPGD (0.49) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4225177 0.78 ALDH1A1 (0.56) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4050665 0.77 HPGD (0.52) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL27753092 0.76 HPGD (0.54) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4056068 0.76 HPGD (0.66) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4056017 0.76 ALDH1A1 (0.50) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4048020 0.75 HPGD (0.52) HPGDKDM4EALDH1A1RAB9AHIF1A
SCHEMBL4216536 0.74 KDM4D (0.59) HPGDKDM4EALDH1A1RAB9AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US claimed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 WO claimed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US disclosed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 HPGD 392/4885KDM4E 515/4885ALDH1A1 282/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 HPGD 392/4885KDM4E 515/4885ALDH1A1 282/4885

“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.