SCHEMBL460159

SCHEMBL460159

C(=CN1CCCCC1)Cc1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
PTK2 Q05397 1/20 0.35
JAK3 P52333 1/20 0.34
KDM1A O60341 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
SCHEMBL28415502 0.77 KDM4E (0.37) NPC1RAB9AKDM4EALDH1A1HTR3A
SCHEMBL12502511 0.77 FAAH (0.46) MAPK1NPC1RAB9AKDM4EHSD17B10
SCHEMBL28158746 0.75 KDM4E (0.36) KDM4EALDH1A1HTR3AHRH4MAPT
SCHEMBL6916239 0.75 KDM4E (0.36) NPC1RAB9AKDM4EALDH1A1HTR3A
SCHEMBL7333314 0.74 SIGMAR1 (0.47) HTR3AHRH4MAPTMEN1KMT2A
SCHEMBL983301 0.72 KDM4E (0.38) RAB9AKDM4EALDH1A1SMN1; SMN2HTR3A
SCHEMBL25301116 0.70 HCRTR1 (0.39) MAPK1NPC1RAB9AKDM4EHSD17B10
SCHEMBL9934866 0.69 KDM4E (0.42) KDM4EALDH1A1HTR3AHRH4MAPT
SCHEMBL882940 0.69 KDM4E (0.42) KDM4EALDH1A1HTR3AHRH4MAPT
SCHEMBL6664087 0.68 MAPK1 (0.60) MAPK1NPC1RAB9AKDM4EALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150757-B2 Quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-12-11 US disclosed
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-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9255080-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-02-09 US disclosed
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-04-10 US disclosed
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-20 US disclosed
US-8623884-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 US disclosed
US-8623872-B2 Quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 US disclosed
EP-1763523-B1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-03-20 EP disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 WO disclosed
EP-0184258-B1 NOVEL DERIVATIVES OF HYDROXY- OR AMINO-SUBSTITUTED (PIPERIDINYLALKYL)QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-06 EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 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 (5 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-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MAPK1 1548/4885NPC1 2322/4885RAB9A 3782/4885
US-10150757-B2 Quinazolinone derivatives as PARP inhibitors PARP1, PARP3, PARP2 MAPK1 1962/4885NPC1 3239/4885RAB9A 2216/4885
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 MAPK1 1962/4885NPC1 3239/4885RAB9A 2216/4885
US-20170158673-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 MAPK1 1962/4885NPC1 3239/4885RAB9A 2216/4885
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MAPK1 1548/4885NPC1 2322/4885RAB9A 3782/4885

“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.