SCHEMBL13836023

SCHEMBL13836023

Nc1nc(NCCNC(=O)O)nc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.39
▸ ADORA1 P30542 9/20 0.33
▸ ADORA2A P29274 8/20 0.33
▸ ADORA2B P29275 8/20 0.33
▸ ADORA3 P0DMS8 6/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ TMIGD3 P0DMS9 2/20 0.32
▸ GDA Q9Y2T3 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ APP P05067 1/20 0.30

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
SCHEMBL13976379 0.82 BCHE (0.44) ADORA1ADORA2AADORA2BADORA3KMT2A
SCHEMBL8009119 0.81 CDK1 (0.52) CDK1KMT2ACDK2
SCHEMBL15185178 0.80 CDK1 (0.39) CDK1ADORA1ADORA2AADORA2BADORA3
SCHEMBL16146951 0.79 ADORA2A (0.41) CDK1ADORA1ADORA2AADORA2BADORA3
Trifluoroacetic Acid SCHEMBL3132981 0.77 HRH4 (0.38) CDK1ADORA1ADORA2AADORA2BADORA3
SCHEMBL10047091 0.76 CDK1 (0.33) CDK1ADORA1ADORA2AADORA2BADORA3
SCHEMBL1146235 0.76 ADORA2A (0.44) CDK1ADORA1ADORA2AADORA2BADORA3
SCHEMBL9792866 0.76 APP (0.57) ADORA1ADORA2AADORA2BADORA3KMT2A
SCHEMBL611824 0.75 STK17B (0.47) ADORA1ADORA2AADORA2BKDM4EKMT2A
SCHEMBL10047120 0.75 L3MBTL1 (0.38) CDK1ADORA1ADORA2AADORA3KDM4E

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-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-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-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 CDK1 3386/4885ADORA1 1863/4885ADORA2A 1411/4885
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR CDK1 3386/4885ADORA1 1863/4885ADORA2A 1411/4885
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR CDK1 3386/4885ADORA1 1863/4885ADORA2A 1411/4885

“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.

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