SCHEMBL13835490

SCHEMBL13835490

CSC[C@H]1O[C@@H](n2cnc3c(N)nc(NCCNC(=O)O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 4/20 0.61
ADORA2B P29275 3/20 0.59
DNMT1 P26358 1/20 0.57
DNMT3B Q9UBC3 1/20 0.57

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
SCHEMBL13835497 1.00 ADORA3 (0.64) ADORA3ADORA2AADORA2BDNMT1DNMT3B
SCHEMBL13835563 0.89 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL13835562 0.89 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL13966950 0.88 DOT1L (0.62) ADORA3ADORA2AADORA2B
SCHEMBL13835718 0.88 ADORA2A (0.61) ADORA2AADORA2B
SCHEMBL13835721 0.88 ADORA2A (0.61) ADORA2AADORA2B
SCHEMBL5351501 0.85 ADORA2A (0.77) ADORA3ADORA2AADORA2B
SCHEMBL5351524 0.85 ADORA2A (0.77) ADORA3ADORA2AADORA2B
SCHEMBL13978090 0.84 ADORA3 (0.53) ADORA3ADORA2AADORA2B
SCHEMBL13835577 0.82 ADORA2A (0.79) ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-11-12 US disclosed
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-11-12 US disclosed
US-9120820-B2 Fluorescent molecular probes for use in assays that measure test compound competitive binding with SAM-utilizing proteins CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-01 US disclosed
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-22 US disclosed
WO-2012159072-A2 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-11-22 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 (3 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-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR ADORA3 1318/4885ADORA2A 1411/4885ADORA2B 4114/4885
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR ADORA3 1318/4885ADORA2A 1411/4885ADORA2B 4114/4885
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR ADORA3 1318/4885ADORA2A 1411/4885ADORA2B 4114/4885

“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.