SCHEMBL10108053

SCHEMBL10108053

O=c1[nH]c2ccc(C(NCCN3CCC(c4n[nH]c5cc(F)ccc45)CC3)c3ccc4c(c3)OCCO4)cc2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.37
HTR2A P28223 7/20 0.36
DRD2 P14416 5/20 0.36
HTR7 P34969 4/20 0.36
HTR6 P50406 4/20 0.36
HTR2C P28335 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR3 P51677 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL20017620 0.92 PARP1 (0.37) PARP1HTR2ATLR9TLR7MCHR1
SCHEMBL10108047 0.86 CCR2 (0.38) PARP1HTR2ADRD2HTR7HTR6
SCHEMBL10102552 0.74 PARP1 (0.45) PARP1
SCHEMBL14264618 0.73 PARP1 (0.59) PARP1HTR2ADRD2HTR7HTR6
SCHEMBL14264622 0.70 PARP1 (0.53) PARP1HTR2ADRD2HTR7HTR6
SCHEMBL18934453 0.69 PARP1 (0.56) PARP1HTR2ADRD2HTR7HTR6
SCHEMBL10102547 0.68 PARP1 (0.49) PARP1
SCHEMBL14264629 0.67 PARP1 (0.47) PARP1HTR2ADRD2HTR7HTR6
SCHEMBL24279715 0.67 DRD2 (0.48) HTR2ADRD2HTR7HTR6SLC6A4
SCHEMBL18934434 0.67 PARP1 (0.50) PARP1HTR2ADRD2HTR7HTR6

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
EP-1687277-B1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-04 EP disclosed
US-9115084-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-08-25 US disclosed
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 US disclosed
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE (FR) 2012-02-23 US disclosed
US-8071612-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-06 US disclosed
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-05-26 US disclosed
US-7855207-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-12-21 US disclosed
US-7855207-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-12-21 US disclosed
US-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN-CILAG (FR) 2007-03-29 US disclosed
US-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN-CILAG (FR) 2007-03-29 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 (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-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors PARP1, PARP6, PARP2 PARP1 1/4885HTR2A 1573/4885DRD2 3368/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 PARP1 1/4885HTR2A 910/4885DRD2 3283/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 PARP1 1/4885HTR2A 910/4885DRD2 3283/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 PARP1 1/4885HTR2A 910/4885DRD2 3283/4885

“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.