SCHEMBL2518006

SCHEMBL2518006

Cn1c(=N/N=c2\oc3ccccc3n2C)oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
GPR3 P46089 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NQO2 P16083 1/20 0.33
GAA P10253 1/20 0.33
MIF P14174 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2518009 1.00 KCNQ3 (0.49) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL2520354 1.00 KCNQ3 (0.49) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL2518002 1.00 KCNQ3 (0.49) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL5281385 0.86 KCNQ3 (0.46) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL5281384 0.86 KCNQ3 (0.46) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL4615936 0.84 KCNQ3 (0.44) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL4615937 0.84 KCNQ3 (0.44) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL5708494 0.76 KCNQ3 (0.50) KCNQ3KCNQ2GPR3ALDH1A1NPSR1
SCHEMBL19449269 0.75 NPC1 (0.56) KCNQ3KCNQ2ALDH1A1SMN1; SMN2GAA
SCHEMBL170140 0.72 MAPK1 (0.57) ALDH1A1NPSR1MAPK1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP claimed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 US claimed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US claimed
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP disclosed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 US disclosed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US disclosed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO disclosed
US-8524682-B2 Compositions and methods for inhibiting EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US disclosed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 US disclosed
US-20100222420-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 US disclosed
WO-2009006577-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 WO disclosed
US-20090012031-A1 EZH2 Cancer Markers THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 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 (1 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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 KCNQ3 4535/4885KCNQ2 4581/4885GPR3 3766/4885

“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.