SCHEMBL2302764

SCHEMBL2302764

COc1ccc2nnc(-c3ccccc3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
HPGD P15428 2/20 1.00
HSD17B10 Q99714 1/20 1.00
LRRK2 Q5S007 6/20 0.64
BRD4 O60885 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
CREBBP Q92793 1/20 0.59
HTT P42858 4/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PIM1 P11309 4/20 0.52
CDK2 P24941 2/20 0.52
MAPKAPK2 P49137 2/20 0.52
GSK3A P49840 2/20 0.52
CSNK2A1 P68400 2/20 0.52

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
SCHEMBL14422615 0.83 LRRK2 (0.70) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL12204663 0.81 KDM4E (1.00) KDM4EHPGDHSD17B10LRRK2HTT
SCHEMBL14422617 0.79 HSD17B10 (0.65) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL960042 0.78 KDM4E (0.63) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422623 0.78 LRRK2 (0.64) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL10490635 0.78 KDM4E (0.63) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422636 0.77 TSHR (0.64) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL960043 0.77 KDM4E (0.62) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422619 0.77 HSD17B10 (0.62) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL2646931 0.76 KDM4E (0.67) KDM4EHPGDHSD17B10LRRK2BRD4

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-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-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
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
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
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
US-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 US disclosed
US-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 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 KDM4E 85/4885HPGD 3482/4885HSD17B10 3136/4885

“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.