SCHEMBL1803012

SCHEMBL1803012

COc1ccc(Oc2ncc(N)c(Oc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 12/20 0.46
CYP3A4 P08684 12/20 0.46
CYP2C19 P33261 5/20 0.46
CLK4 Q9HAZ1 2/20 0.46
USP2 O75604 8/20 0.44
CYP2C9 P11712 5/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL12620442 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL12672764 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL1804823 0.83 MEN1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL1804096 0.82 PIN1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CYP2C9
SCHEMBL22534771 0.82 CASP1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL1806541 0.82 OPRM1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL1805385 0.77 AURKA (0.55) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL1805296 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL13530264 0.75 DCK (0.52) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL1806470 0.74 MERTK (0.60) ALDH1A1KMT2AMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493863-B1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-25 EP disclosed
EP-2493863-B1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-25 EP disclosed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-2493863-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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 (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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 ALDH1A1 590/4885KMT2A 1602/4885MEN1 4868/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 ALDH1A1 590/4885KMT2A 1602/4885MEN1 4868/4885

“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.