SCHEMBL1863009

SCHEMBL1863009

N#Cc1cccc(Oc2nc(-c3cccnc3)ncc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNA5 P30532 2/20 0.48
CHRNA4 P43681 2/20 0.48
GRM5 P41594 4/20 0.47
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HAO1 Q9UJM8 1/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP17A1 P05093 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1864484 0.87 CYP1A2 (0.61) MEN1KMT2ATDP1GRM5CYP1A2
SCHEMBL12665781 0.84 CYP1A2 (0.47) MEN1KMT2ACHRNB2CHRNA5CHRNA4
SCHEMBL1862789 0.83 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA4GRM5CYP11B1
SCHEMBL12660794 0.82 MEN1 (0.58) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL1865850 0.79 GRM5 (0.45) KMT2ACHRNB2CHRNA5CHRNA4GRM5
SCHEMBL1866527 0.78 MEN1 (0.65) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5362007 0.77 HCRTR1 (0.49) TDP1PTGER4PTGER2HAO1POLB
SCHEMBL4447047 0.76 PTGER4 (0.66) TDP1GRM5PTGER4PTGER2HAO1
SCHEMBL5115261 0.75 MEN1 (1.00) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL22832793 0.74 GRM5 (0.48) MEN1KMT2ACHRNB2CHRNA5CHRNA4

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-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 MEN1 4875/4885KMT2A 2881/4885TDP1 925/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 MEN1 4875/4885KMT2A 2881/4885TDP1 925/4885

“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.