SCHEMBL8027975

SCHEMBL8027975

O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCc1cccs1)c1sccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
RXFP1 Q9HBX9 8/20 1.00
TP53 P04637 3/20 1.00
HTR6 P50406 10/20 0.84
SLC14A1 Q13336 1/20 0.80

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
SCHEMBL15287958 0.91 MAPT (0.84) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15287661 0.91 HTR6 (1.00) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15287899 0.89 MAPT (0.81) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15285336 0.89 MAPT (1.00) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15287920 0.88 MAPT (1.00) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15285224 0.88 HTR6 (0.82) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15287694 0.87 MAPT (0.79) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15285274 0.87 MAPT (0.84) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL15285338 0.86 HTR6 (1.00) MAPTRXFP1TP53HTR6SLC14A1
SCHEMBL8031178 0.86 HTR6 (0.85) MAPTRXFP1TP53HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303042-B2 Triazolothienopyrimidine compound inhibitors of urea transporters and methods of using inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-05 US claimed
US-20150057274-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US claimed
WO-2013148813-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO claimed
US-9303042-B2 Triazolothienopyrimidine compound inhibitors of urea transporters and methods of using inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-05 US disclosed
US-20150057274-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
WO-2013148813-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO disclosed
WO-2009093934-A2 SUBSTITUTED 3-SULPHONYL-[1,2,3]TRIAZOLO [1,5-A]PYRIMIDINES-ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, MEDICINAL SUBSTANCE, PHARMACEUTICAL COMPOSITION, MEDICINAL PREPARATION AND METHODS FOR THE PRODUCTION THEREOF ALLA CHEM, LLC (US) 2009-07-30 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 (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-20150057274-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS SLC14A1, SLC29A2, SLC29A1 MAPT 1066/4885RXFP1 1785/4885TP53 1843/4885

“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.