SCHEMBL2833270

SCHEMBL2833270

Cn1ccnc1CN(CCc1ccc(S(N)(=O)=O)cc1)Cc1nccn1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.48
CA1 P00915 16/20 0.48
CA12 O43570 10/20 0.48
CA4 P22748 9/20 0.48
CA9 Q16790 8/20 0.48
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41

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
SCHEMBL2496547 0.90 CA1 (0.48) CA2CA1CA12CA4CA9
SCHEMBL2501686 0.85 CA2 (0.41) CA2CA1CA12CA4CA9
SCHEMBL15199045 0.81 CA1 (0.47) CA2CA1CA12CA4CA9
SCHEMBL10292810 0.78 CA2 (0.42) CA2CA1CA12CA4CA9
SCHEMBL2497397 0.76 CA1 (0.51) CA2CA1CA12CA4CA9
SCHEMBL15199141 0.76 CA1 (0.48) CA2CA1CA12CA4CA9
SCHEMBL15193487 0.75 CA1 (0.46) CA2CA1CA12CA4CA9
SCHEMBL2831555 0.75 MEN1 (0.55) CA2CA1CA12CA4CA9
SCHEMBL12087626 0.74 TSHR (0.43) TSHRSMN1; SMN2
SCHEMBL10292507 0.73 CA1 (0.41) CA2CA1CA12CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
US-8962799-B2 Technetium—and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962799-B2 Technetium—and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-8840865-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-09-23 US disclosed
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 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 (4 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-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CA2 2206/4885CA1 772/4885CA12 899/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CA2 1537/4885CA1 445/4885CA12 1342/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CA2 2206/4885CA1 772/4885CA12 899/4885
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CA2 1537/4885CA1 445/4885CA12 1342/4885

“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.