SCHEMBL4050175

SCHEMBL4050175

CN1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 1/20 0.60
HIF1A Q16665 1/20 0.60
SPR P35270 2/20 0.50
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
TNKS O95271 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL4047617 0.91 ALDH1A1 (0.60) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4049147 0.89 ALDH1A1 (0.58) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4054786 0.89 ALDH1A1 (0.58) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4050590 0.88 ALDH1A1 (0.57) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4047628 0.88 KDM4E (0.57) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4224716 0.80 HPGD (0.67) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4056068 0.79 HPGD (0.66) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4051927 0.78 KDM4E (0.76) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4047424 0.78 HPGD (0.65) PARP1KDM4EALDH1A1RAB9AHPGD
SCHEMBL4231814 0.78 HPGD (0.65) PARP1KDM4EALDH1A1RAB9AHPGD

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 PARP1 1/4885KDM4E 515/4885ALDH1A1 282/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 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.