SCHEMBL9009907

SCHEMBL9009907

O=C(c1ccc(F)cc1)C1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.67
PARP2 Q9UGN5 2/20 0.64
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
HTR2A P28223 1/20 0.59
TNKS O95271 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55

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
SCHEMBL9010035 0.94 PARP1 (0.59) PARP1PARP2KDM4ECYP1A2CYP3A4
SCHEMBL6795915 0.93 PARP1 (0.70) PARP1PARP2TNKSTNKS2HTR1A
SCHEMBL14129617 0.91 PARP1 (0.64) PARP1PARP2TNKSTNKS2HTR1A
SCHEMBL16432166 0.87 PARP1 (0.69) PARP1PARP2TNKSTNKS2
SCHEMBL18729762 0.83 PARP1 (0.61) PARP1PARP2TNKSTNKS2
SCHEMBL18730877 0.83 PARP1 (0.59) PARP1PARP2TNKSTNKS2
SCHEMBL14264637 0.82 HTR2A (0.54) PARP1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9010001 0.81 PARP1 (0.57) PARP1PARP2HTR2A
SCHEMBL16432069 0.80 PARP1 (0.70) PARP1PARP2TNKSTNKS2
SCHEMBL9009912 0.79 PARP1 (0.67) PARP1PARP2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158673-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-08 US disclosed
US-9522905-B2 Quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-12-20 US disclosed
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-20 US disclosed
US-8188103-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-29 US disclosed
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-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
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 EP 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 (4 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 1/4885PARP2 2/4885KDM4E 3137/4885
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885KDM4E 835/4885
US-20170158673-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885KDM4E 835/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885KDM4E 620/4885

“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.