SCHEMBL12374621

SCHEMBL12374621

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.43
PNP P00491 1/20 0.42
TLR7 Q9NYK1 2/20 0.38
ADK P55263 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12374620 0.89 PNP (0.44) KRASPNPTLR7ADKDOT1L
SCHEMBL12407598 0.86 KRAS (0.46) KRASPNPTLR7MEN1KMT2A
SCHEMBL12374619 0.84 ADK (0.56) ADKDOT1L
SCHEMBL12407599 0.80 PNP (0.48) KRASPNPTLR7MEN1KMT2A
SCHEMBL1737182 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1
SCHEMBL6729944 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1
SCHEMBL12150656 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1
SCHEMBL16198949 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1
SCHEMBL12154731 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1
SCHEMBL6727042 0.76 PNP (0.54) PNPTLR7ADKDOT1LMEN1

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 KRAS 1231/4885PNP 100/4885TLR7 2657/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 KRAS 1231/4885PNP 100/4885TLR7 2657/4885

“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.