SCHEMBL444689

SCHEMBL444689

NC(=O)c1ccccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
GAA P10253 2/20 0.62
MAPK1 P28482 1/20 0.59
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
JAK3 P52333 1/20 0.58
SIGMAR1 Q99720 4/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
DRD4 P21917 3/20 0.54
KCNH2 Q12809 1/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 1/20 0.53
DPP7 Q9UHL4 1/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52

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
Hydrochloric Acid SCHEMBL6161250 0.85 KDM4E (0.60) KDM4EGAAMAPK1SIGMAR1POLB
SCHEMBL6153601 0.84 KDM4E (0.62) KDM4EGAAMAPK1JAK2JAK1
SCHEMBL12279961 0.82 JAK2 (0.61) KDM4EGAAMAPK1JAK2JAK1
SCHEMBL3994220 0.81 KDM4E (0.55) KDM4EGAAMAPK1SIGMAR1POLB
SCHEMBL6154811 0.80 SLC6A12 (0.56) KDM4ESIGMAR1HSD17B10DRD4KCNH2
SCHEMBL6154543 0.80 SLC6A12 (0.59) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL6155299 0.80 JAK2 (0.53) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL6153502 0.80 OPRK1 (0.59) KDM4EGAAMAPK1SIGMAR1DRD4
SCHEMBL6157012 0.80 OPRK1 (0.56) KDM4EGAAMAPK1SIGMAR1DRD4
SCHEMBL22605677 0.80 JAK2 (0.50) KDM4EJAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8623884-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 US disclosed
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS KENNIS LUDO EDMOND JOSEPHINE (BE) 2012-03-15 US disclosed
US-8080557-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-20 US disclosed
CN-1980913-B quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
US-20090253727-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2009-10-08 US disclosed
US-7563809-B2 Nociceptin analogs PURDUE PHARMA, L.P. (US) 2009-07-21 US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 US disclosed
CN-1980913-A Quinazolinedione derivatives as parp inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 CN disclosed
EP-1763523-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-21 EP disclosed
WO-2006003148-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO disclosed
WO-2006003148-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO 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 KDM4E 1577/4885GAA 2500/4885MAPK1 1548/4885
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors PARP1, PARP2, PARP3 KDM4E 1577/4885GAA 2500/4885MAPK1 1548/4885
US-20090253727-A1 NOCICEPTIN ANALOGS OPRL1, NPBWR1, OPRK1 KDM4E 4526/4885GAA 3721/4885MAPK1 3563/4885
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 KDM4E 1577/4885GAA 2500/4885MAPK1 1548/4885
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 KDM4E 1577/4885GAA 2500/4885MAPK1 1548/4885

“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.