SCHEMBL13554396

SCHEMBL13554396

Nc1ncnc2c1c(C#CCNC(=O)CCCNC(=O)C(F)(F)F)cn2[C@H]1CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.42
DTYMK P23919 4/20 0.42
TRPM2 O94759 1/20 0.40
ENPP1 P22413 2/20 0.39
P2RY1 P47900 1/20 0.39
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
AURKA O14965 2/20 0.38
CHAT P28329 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
NAA50 Q9GZZ1 1/20 0.38

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
SCHEMBL16152184 1.00 POLB (0.42) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL13552123 0.92 POLB (0.44) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL16152183 0.90 POLB (0.46) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL20417316 0.90 POLB (0.42) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL20417307 0.90 POLB (0.42) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL13654807 0.87 POLB (0.45) POLBCA2DTYMKTRPM2ENPP1
SCHEMBL13554340 0.85 POLB (0.45) POLBDTYMKTRPM2ENPP1P2RY1
SCHEMBL16152145 0.85 POLB (0.45) POLBDTYMKTRPM2ENPP1P2RY1
SCHEMBL24970387 0.84 CA2 (0.40) POLBCA2DTYMKP2RX1P2RX3
SCHEMBL22327013 0.83 ENTPD1 (0.38) POLBCA2DTYMKP2RY1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270210-A1 METHOD AND REAGENT FOR GENE SEQUENCE ANALYSIS HITACHI, LTD. (JP) 2012-10-25 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 (1 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-20120270210-A1 METHOD AND REAGENT FOR GENE SEQUENCE ANALYSIS RNGTT, DNTT, MTAP POLB 56/4885CA2 3991/4885DTYMK 9/4885

“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.