SCHEMBL4054147

SCHEMBL4054147

O=c1[nH]c2c(-c3ccc(Cl)cc3)cnn2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.55
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 1/20 0.48
TNKS O95271 1/20 0.44
GUSB P08236 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
SERPINE1 P05121 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4048020 0.89 HPGD (0.52) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL4051794 0.75 HPGD (0.58) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL31624261 0.73 SCN2A (0.49) HPGDALDH1A1RAB9AKDM4ECYP2C9
SCHEMBL167596 0.72 ARF6 (0.56) PARP1HPGDTNKSGUSBTNKS2
SCHEMBL4216536 0.71 KDM4D (0.59) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL31624201 0.71 GCGR (0.41) HPGDALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL4224716 0.71 HPGD (0.67) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL4046309 0.71 HPGD (0.54) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL4056068 0.70 HPGD (0.66) PARP1HPGDALDH1A1RAB9AKDM4E
SCHEMBL31624266 0.68 MEN1 (0.42) HPGDALDH1A1RAB9AKDM4ECYP1A2

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 1/4885HPGD 392/4885ALDH1A1 282/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885HPGD 392/4885ALDH1A1 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.