SCHEMBL8045900

SCHEMBL8045900

Cc1cn(CC(=O)N(CCN)CC(=O)C(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.46
MAPK1 P28482 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
HPGD P15428 1/20 0.37
TYMP P19971 1/20 0.36

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
SCHEMBL14542978 0.87 MAPK1 (0.40) TK1MAPK1CA12CA1CA2
SCHEMBL16297679 0.87 MAPK1 (0.40) TK1MAPK1CA12CA1CA2
SCHEMBL3918733 0.81 KMT2A (0.39) TK1MAPK1CA12CA1CA2
SCHEMBL3918737 0.81 TK1 (0.40) TK1MAPK1CA12CA1CA2
SCHEMBL7761597 0.81 HPGD (0.41) TK1MAPK1CA12CA1CA2
SCHEMBL8645221 0.79 TK1 (0.42) TK1MAPK1HPGDTYMP
SCHEMBL7529489 0.76 HPGD (0.43) TK1MAPK1HPGDTYMP
SCHEMBL13876902 0.76 TK1 (0.40) TK1HPGD
SCHEMBL8642052 0.75 TK1 (0.39) TK1MAPK1
SCHEMBL8720371 0.74 KMT2A (0.47) TK1MAPK1HPGDTYMP

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-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA TK1 1722/4885MAPK1 2622/4885CA12 326/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA TK1 1722/4885MAPK1 2622/4885CA12 326/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA TK1 1722/4885MAPK1 2622/4885CA12 326/4885

“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.