SCHEMBL4136059

SCHEMBL4136059

COCCOc1nc(N)c2nc(OC)n(Cc3ccc(C=O)cc3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.57
NUDT1 P36639 1/20 0.49

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
SCHEMBL28772770 0.88 TLR7 (0.57) TLR7NUDT1
SCHEMBL19539457 0.88 TLR7 (0.57) TLR7NUDT1
SCHEMBL2058830 0.88 TLR7 (0.57) TLR7NUDT1
SCHEMBL21449093 0.87 TLR7 (0.61) TLR7NUDT1
SCHEMBL4128956 0.87 TLR7 (0.61) TLR7NUDT1
SCHEMBL4134546 0.86 TLR7 (0.60) TLR7NUDT1
SCHEMBL7211538 0.86 TLR7 (0.60) TLR7NUDT1
SCHEMBL12726879 0.86 TLR7 (0.60) TLR7NUDT1
SCHEMBL510344 0.86 TLR7 (0.74) TLR7NUDT1
SCHEMBL22533653 0.85 TLR7 (0.61) TLR7NUDT1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
EP-1931352-B1 TLR AGONISTS UNIV CALIFORNIA (US) 2016-04-13 EP disclosed
EP-2510946-B1 Conjugates of synthetic tlr agonists and uses therefor UNIV CALIFORNIA (US) 2015-08-05 EP disclosed
US-9050376-B2 Conjugates of synthetic TLR agonists and uses therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-09 US disclosed
US-9050376-B2 Conjugates of synthetic TLR agonists and uses therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-09 US disclosed
US-9050376-B2 Conjugates of synthetic TLR agonists and uses therefor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-09 US disclosed
US-20140302120-A1 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-09 US disclosed
US-20140302120-A1 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-09 US disclosed
EP-2125007-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR Regents of the University of California (US) 2009-12-02 EP disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
WO-2008115319-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-25 WO disclosed
WO-2008115319-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-25 WO disclosed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1931352-A2 TLR AGONISTS The Regents of the University of California Office of Technology Transfer (US) 2008-06-18 EP disclosed
WO-2007024707-A2 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 WO disclosed
WO-2007024707-A2 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 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-20140302120-A1 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR TLR1, TLR5, TLR8 TLR7 4/4885NUDT1 2757/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TLR7 396/4885NUDT1 3/4885

“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.