SCHEMBL9070730

SCHEMBL9070730

O=C1NCN(c2ccccc2)C12CCN(CCCc1nc3ccccc3c(=O)[nH]1)CC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.65
HTR1A P08908 8/20 0.61
HTR7 P34969 7/20 0.61
DRD2 P14416 5/20 0.61
DRD4 P21917 5/20 0.61
DRD3 P35462 5/20 0.61
HTR2B P41595 5/20 0.61
HRH1 P35367 4/20 0.61
HTR2A P28223 3/20 0.58
SLC6A4 P31645 3/20 0.58
PARP2 Q9UGN5 1/20 0.57
HTR2C P28335 1/20 0.54

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
SCHEMBL6402803 0.81 OPRM1 (0.74) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL31060680 0.78 PARP1 (1.00) PARP1HTR1AHTR7PARP2
SCHEMBL6796265 0.78 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL6795921 0.78 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL11195725 0.77 DRD2 (0.61) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL16256973 0.77 OPRM1 (0.67) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL5296387 0.77 OPRM1 (0.67) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL11669922 0.77 OPRM1 (0.71) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL12946412 0.76 PARP1 (0.67) PARP1HTR1AHTR7PARP2
SCHEMBL6795086 0.76 PARP1 (0.87) PARP1HTR1AHTR7DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188103-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-29 US disclosed
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS VAN DER AA MARCEL JOZEF MARIA 2011-03-31 US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 US disclosed
US-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 US 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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer PARP1, PARP2, PARP3 PARP1 1/4885HTR1A 1036/4885HTR7 2582/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885HTR1A 421/4885HTR7 1298/4885

“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.