SCHEMBL2300032

SCHEMBL2300032

COc1cccc(Nc2ccc(-c3ccccc3)nn2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.75
KMT2A Q03164 6/20 0.75
MAPT P10636 4/20 0.75
MAPK1 P28482 1/20 0.75
TP53 P04637 2/20 0.64
ABCG2 Q9UNQ0 4/20 0.57
ABCB1 P08183 3/20 0.57
ABCC1 P33527 1/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.52
PDE4B Q07343 2/20 0.50
PDE5A O76074 1/20 0.49
EGFR P00533 2/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
ROCK1 Q13464 1/20 0.48
ERBB3 P21860 1/20 0.48

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
SCHEMBL1752922 0.80 RAB9A (0.62) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL27040083 0.79 MAPT (0.58) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL8024017 0.78 DGAT1 (0.61) MEN1KMT2AMAPTMAPK1ABCG2
SCHEMBL20550980 0.77 MAPT (0.75) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL30857514 0.77 MAPT (0.75) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL180946 0.76 DGAT1 (0.50) MEN1KMT2AMAPTMAPK1
SCHEMBL20067339 0.76 MEN1 (0.60) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL2541551 0.76 TRPV1 (0.57) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL8024061 0.75 MAPT (0.76) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL28706653 0.75 MEN1 (0.57) MEN1KMT2AMAPTMAPK1TP53

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 13 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-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US claimed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 EP claimed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO claimed
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP disclosed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 EP 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
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
US-20100222420-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 US 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 (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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 MEN1 1330/4885KMT2A 23/4885MAPT 3335/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA MEN1 4634/4885KMT2A 503/4885MAPT 4875/4885

“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.