SCHEMBL12374611

SCHEMBL12374611

COc1nc(N)nc2c1c(I)cn2C1OC(CO)C(O)C1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 10/20 0.53
SLC29A1 Q99808 4/20 0.53
CYP2C19 P33261 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
DNMT1 P26358 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
HBB P68871 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL18483661 0.88 ADK (0.54) ADKSLC29A1ADORA3ADORA1ADORA2A
SCHEMBL17800857 0.83 ADK (0.71) ADKSLC29A1ALDH1A1TP53HTT
SCHEMBL10292987 0.81 TK1 (0.47) ADKLMNATP53DNMT1HTT
SCHEMBL1738436 0.81 CYP2C19 (0.41) ADKSLC29A1CYP2C19ADORA3ADORA1
SCHEMBL6732905 0.81 CYP2C19 (0.41) ADKSLC29A1CYP2C19ADORA3ADORA1
SCHEMBL18483514 0.79 ADK (0.58) ADKSLC29A1GMNNALDH1A1LMNA
Nelarabine SCHEMBL2143756 0.78 CYP2C19 (0.71) SLC29A1CYP2C19ADORA3ADORA1ADORA2A
Nelarabine SCHEMBL13575801 0.78 CYP2C19 (0.71) SLC29A1CYP2C19ADORA3ADORA1ADORA2A
Nelarabine SCHEMBL20769831 0.78 CYP2C19 (0.71) SLC29A1CYP2C19ADORA3ADORA1ADORA2A
Nelarabine SCHEMBL18321891 0.78 CYP2C19 (0.71) SLC29A1CYP2C19ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003769-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 US disclosed
US-8003769-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 US disclosed
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-11-18 US disclosed
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-11-18 US disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 US disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 US disclosed
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-12-20 US disclosed
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-12-20 US disclosed
US-7262029-B2 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-08-28 US disclosed
US-7262029-B2 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-08-28 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 (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-20100292457-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 ADK 327/4885SLC29A1 101/4885CYP2C19 3643/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 ADK 327/4885SLC29A1 101/4885CYP2C19 3643/4885

“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.