SCHEMBL9010033

SCHEMBL9010033

O=c1[nH]c(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.71
PARP2 Q9UGN5 9/20 0.71
PARP1 P09874 8/20 0.71
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CHRM1 P11229 2/20 0.58
DRD2 P14416 1/20 0.58
KCNH2 Q12809 1/20 0.58
PLD1 Q13393 2/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
OPRL1 P41146 1/20 0.57
PLD2 O14939 1/20 0.57
AKT1 P31749 1/20 0.56
AKT2 P31751 1/20 0.56
AKT3 Q9Y243 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 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
SCHEMBL15574637 0.83 TNKS (1.00) TNKSPARP2PARP1
SCHEMBL14264627 0.82 CYP2D6 (0.58) TNKSPARP2PARP1CYP2D6CYP2C9
SCHEMBL5777954 0.81 OPRM1 (0.77) CYP2D6CYP2C9CHRM1DRD2KCNH2
SCHEMBL6404540 0.80 PLD1 (0.81) CYP2D6CYP2C9CHRM1DRD2KCNH2
SCHEMBL15573549 0.79 TNKS (1.00) TNKSPARP2PARP1
SCHEMBL15573550 0.79 TNKS (1.00) TNKSPARP2PARP1
Trifluoroacetic Acid SCHEMBL15573565 0.79 TNKS (0.90) TNKSPARP2PARP1
SCHEMBL15574647 0.78 TNKS (1.00) TNKSPARP2PARP1
SCHEMBL15574644 0.78 TNKS (1.00) TNKSPARP2PARP1
SCHEMBL5984495 0.78 CYP2D6 (0.85) CYP2D6CYP2C9CHRM1DRD2KCNH2

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

“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.