SCHEMBL4049628

SCHEMBL4049628

CCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 3/20 0.68
KDM4E B2RXH2 2/20 0.68
RAB9A P51151 1/20 0.68
HIF1A Q16665 1/20 0.68
PLAT P00750 3/20 0.48
BRD4 O60885 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FPR1 P21462 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
LCK P06239 1/20 0.41
PRKACA P17612 1/20 0.41
CSNK2A2 P19784 1/20 0.41

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
SCHEMBL4054217 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4047424 0.86 HPGD (0.65) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4052148 0.84 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4223039 0.83 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4052993 0.82 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4051927 0.81 KDM4E (0.76) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL11605021 0.81 HPGD (1.00) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4224716 0.81 HPGD (0.67) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4226019 0.81 PLAT (0.56) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4214432 0.81 PARP1 (0.55) ALDH1A1HPGDKDM4ERAB9AHIF1A

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 ALDH1A1 282/4885HPGD 392/4885KDM4E 515/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 ALDH1A1 282/4885HPGD 392/4885KDM4E 515/4885

“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.