SCHEMBL887784

SCHEMBL887784

CN(CCNC(=O)C=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)CCNC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX12 P18054 1/20 0.51
ADRA1A P35348 1/20 0.51
TYMS P04818 1/20 0.47
TK2 O00142 1/20 0.46

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
SCHEMBL13403300 1.00 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL887780 1.00 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL13403287 0.94 TK1 (0.58) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL24638622 0.93 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14252429 0.93 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL20456356 0.93 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL13599906 0.92 TK1 (0.54) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8739763 0.92 TYMS (0.46) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL887937 0.90 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL16772882 0.89 TYMS (0.49) TK1CYP1A2CYP3A4TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383792-B2 Compound having structure derived from mononucleoside or mononucleotide, nucleic acid, labeling substance, and method and kit for detection of nucleic acid RIKEN (JP) 2013-02-26 US disclosed
EP-1970453-B1 Primer, primer set, and nucleic acid amplification method and mutation detection method using the same RIKEN (JP) 2012-08-01 EP disclosed
EP-2130835-B1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID RIKEN (JP) 2012-05-23 EP disclosed
US-8067162-B2 Replication; hybridization; kits RIKEN (JP) 2011-11-29 US disclosed
US-20100092971-A1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID RIKEN (JP) 2010-04-15 US disclosed
EP-2130835-A1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID Riken (JP) 2009-12-09 EP disclosed
US-20080227104-A1 Replication; hybridization; kits RIKEN (JP) 2008-09-18 US disclosed
EP-1970453-A2 Primer, primer set, and nucleic acid amplification method and mutation detection method using the same Riken (JP) 2008-09-17 EP 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 (2 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-20100092971-A1 COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID NME1, NGLY1, DNTT TK1 21/4885CYP1A2 4856/4885CYP3A4 4806/4885
US-20080227104-A1 Replication; hybridization; kits PCNA, POLL, RNGTT TK1 300/4885CYP1A2 4851/4885CYP3A4 4220/4885

“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.