SCHEMBL12374617

SCHEMBL12374617

Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2C1OC(CO)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 9/20 0.62
DOT1L Q8TEK3 4/20 0.62
PAX8 Q06710 2/20 0.53
NPC1 O15118 1/20 0.53
GALR3 O60755 1/20 0.53
S1PR4 O95977 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
S1PR1 P21453 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
CA2 P00918 3/20 0.52
NAE1 Q13564 2/20 0.48
UBA1 P22314 1/20 0.48
UBA3 Q8TBC4 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
PRMT5 O14744 1/20 0.47
PRMT3 O60678 1/20 0.47
DNMT1 P26358 1/20 0.47

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
SCHEMBL12374619 0.88 ADK (0.56) ADKDOT1LPAX8NPC1GALR3
SCHEMBL68465 0.86 PI4KA (0.51) ADKDOT1LPAX8NPC1GALR3
SCHEMBL21912256 0.85 CA2 (0.49) ADKDOT1LHTTCA2PRMT5
SCHEMBL22327353 0.85 CA2 (0.49) ADKDOT1LHTTCA2PRMT5
SCHEMBL12047324 0.85 CA2 (0.49) ADKDOT1LHTTCA2PRMT5
SCHEMBL21585106 0.85 CA2 (0.49) ADKDOT1LHTTCA2PRMT5
SCHEMBL12405891 0.83 ADK (0.57) ADKDOT1LPAX8NPC1GALR3
SCHEMBL12374620 0.83 PNP (0.44) ADKDOT1LALDH1A1MAPTHTT
SCHEMBL12937911 0.82 LMNA (0.46) ADKDOT1LALDH1A1MAPTHTT
SCHEMBL12230438 0.82 LMNA (0.46) ADKDOT1LALDH1A1MAPTHTT

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 ADK 327/4885DOT1L 1277/4885PAX8 3006/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 ADK 327/4885DOT1L 1277/4885PAX8 3006/4885

“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.