SCHEMBL9010035

SCHEMBL9010035

O=C(c1ccc(F)cc1)C1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.59
TNKS O95271 5/20 0.59
TNKS2 Q9H2K2 5/20 0.59
HTR2A P28223 5/20 0.56
HTR2C P28335 4/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
HTR1A P08908 2/20 0.56
CYP2C9 P11712 2/20 0.56
DRD2 P14416 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56

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
SCHEMBL9009907 0.94 PARP1 (0.67) PARP1TNKSTNKS2HTR2AHTR7
SCHEMBL6795915 0.87 PARP1 (0.70) PARP1TNKSTNKS2HTR7HTR1A
SCHEMBL9010001 0.87 PARP1 (0.57) PARP1HTR2AHTR2CDRD2MEN1
SCHEMBL16432166 0.85 PARP1 (0.69) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL14129617 0.85 PARP1 (0.64) PARP1TNKSTNKS2HTR7HTR1A
SCHEMBL14264637 0.84 HTR2A (0.54) PARP1HTR2AHTR2CHTR7HTR6
SCHEMBL18934376 0.79 PARP1 (0.50) PARP1TNKSTNKS2HTR2AHTR2C
SCHEMBL1582470 0.77 HTR2A (0.87) HTR2AHTR2CHTR7HTR6CYP1A2
SCHEMBL16432069 0.77 PARP1 (0.70) PARP1TNKSTNKS2PARP2
SCHEMBL18729762 0.77 PARP1 (0.61) PARP1TNKSTNKS2PARP2

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-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

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 1/4885TNKS 18/4885TNKS2 66/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885TNKS 14/4885TNKS2 15/4885

“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.