SCHEMBL12374620

SCHEMBL12374620

Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.44
KRAS P01116 3/20 0.41
ADK P55263 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
TLR7 Q9NYK1 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.39
HINT1 P49773 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL12374621 0.89 KRAS (0.43) PNPKRASADKDOT1LTLR7
SCHEMBL2619268 0.86 LMNA (0.43) SMN1; SMN2
SCHEMBL22327408 0.86 LMNA (0.43) SMN1; SMN2
SCHEMBL12407599 0.84 PNP (0.48) PNPKRASTLR7MEN1KMT2A
SCHEMBL12374617 0.83 ADK (0.62) ADKDOT1LMAPTALDH1A1HTT
SCHEMBL2544209 0.82 LMNA (0.46) ADKDOT1LMAPTKDM4ETDP1
SCHEMBL12937911 0.82 LMNA (0.46) ADKDOT1LMAPTKDM4ETDP1
SCHEMBL2544217 0.82 LMNA (0.46) ADKDOT1LMAPTKDM4ETDP1
SCHEMBL12230438 0.82 LMNA (0.46) ADKDOT1LMAPTKDM4ETDP1
SCHEMBL19646992 0.82 LMNA (0.46) ADKDOT1LMAPTKDM4ETDP1

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 7 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-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

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 PNP 100/4885KRAS 1231/4885ADK 327/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 PNP 100/4885KRAS 1231/4885ADK 327/4885

“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.