SCHEMBL1870852

SCHEMBL1870852

COc1ccc(Oc2nc(Br)cnc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAP4K4 O95819 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
CSF1R P07333 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL15015523 0.87 MAPT (0.44) ALDH1A1KMT2AMEN1MAP4K4L3MBTL1
SCHEMBL1328836 0.83 MEN1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL1328805 0.83 ADORA2A (0.42) ALDH1A1KMT2AMEN1MAP4K4RAB9A
SCHEMBL29361274 0.81 CSF1R (0.50) ALDH1A1RAB9ANPC1CSF1RCYP2D6
SCHEMBL19785487 0.81 CSF1R (0.50) ALDH1A1RAB9ANPC1CSF1RCYP2D6
SCHEMBL68083 0.80 CCR4 (0.43) KMT2AHTT
SCHEMBL29364914 0.80 CCR4 (0.43) KMT2AHTT
SCHEMBL23012573 0.73 KDM4C (0.34) MAPK1
SCHEMBL29507183 0.73 KDM4C (0.34) MAPK1
SCHEMBL3146853 0.73 FYN (0.44) ALDH1A1FYNDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493878-B1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-12 EP disclosed
US-8293750-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-10-23 US disclosed
US-8293750-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-10-23 US disclosed
US-8293750-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-10-23 US disclosed
EP-2493878-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20120202824-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-20120202824-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-20120202824-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-8183371-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-8183371-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-8183371-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-20110105527-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053696-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105527-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053696-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105527-A1 PYRAZINES 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-20120202824-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1103/4885KMT2A 3143/4885MEN1 4841/4885
US-20110105527-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1103/4885KMT2A 3143/4885MEN1 4841/4885

“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.