SCHEMBL17364291

SCHEMBL17364291

Cc1cn(-c2ncnc3nc[nH]c23)cc(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
HTT P42858 6/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
AKT2 P31751 4/20 0.48
LMNA P02545 3/20 0.48
ALOX15 P16050 1/20 0.48
MAP3K5 Q99683 1/20 0.48
PTK2B Q14289 1/20 0.47
PDPK1 O15530 3/20 0.46
CHEK1 O14757 2/20 0.46
PAK1 Q13153 1/20 0.46
MAPT P10636 3/20 0.45
NUDT1 P36639 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL17364279 0.78 XDH (0.46) HRH4ALDH1A1XDH
SCHEMBL17364275 0.76 ALOX15 (0.50) CA12CA1CA2CA9HTT
SCHEMBL17364290 0.76 ADORA2A (0.35) CA12CA1CA2CA9PDPK1
SCHEMBL17364285 0.75 CA12 (0.61) CA12CA1CA2CA9HTT
SCHEMBL4653909 0.74 HTT (0.57) CA12CA1CA2CA9HTT
SCHEMBL562493 0.74 HTT (0.57) CA12CA1CA2CA9HTT
SCHEMBL17371005 0.70 CA12 (0.52) CA12CA1CA2CA9HTT
SCHEMBL3768069 0.69 HTT (0.51) CA12CA1CA2CA9HTT
SCHEMBL6755685 0.68 HTT (0.86) HTTMAPK1TP53HRH4AKT2
SCHEMBL29898244 0.68 HTT (0.86) HTTMAPK1TP53HRH4AKT2

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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B CA12 4219/4885CA1 4333/4885CA2 3452/4885

“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.