SCHEMBL4049901

SCHEMBL4049901

O=c1[nH]c2c(CN3CCCC3)cnn2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 1/20 0.49
PLAT P00750 3/20 0.47
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.39
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
PARP1 P09874 7/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL4054668 0.82 HPGD (0.49) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4051794 0.81 HPGD (0.58) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4046732 0.81 TERT (0.47) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4046309 0.80 HPGD (0.54) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4047633 0.80 TERT (0.47) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4047617 0.74 ALDH1A1 (0.60) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4214432 0.74 PARP1 (0.55) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4049147 0.73 ALDH1A1 (0.58) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4054786 0.73 ALDH1A1 (0.58) HPGDKDM4ERAB9AALDH1A1HIF1A
SCHEMBL4225177 0.73 ALDH1A1 (0.56) HPGDKDM4ERAB9AALDH1A1HIF1A

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-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US 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 515/4885RAB9A 3860/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 HPGD 392/4885KDM4E 515/4885RAB9A 3860/4885

“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.