SCHEMBL3776995

SCHEMBL3776995

c1nc(-n2cncn2)c2[nH]cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 4/20 0.51
AKT2 P31751 4/20 0.51
ALOX15 P16050 2/20 0.51
MAP3K5 Q99683 1/20 0.51
CHEK1 O14757 1/20 0.49
PDPK1 O15530 1/20 0.49
PAK1 Q13153 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
MAPT P10636 3/20 0.47
PTK2B Q14289 1/20 0.47
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL6762724 0.75 HTT (0.51) HTTMAPK1TP53LMNAAKT2
SCHEMBL562493 0.74 HTT (0.57) HTTMAPK1TP53LMNAAKT2
SCHEMBL3620056 0.72 CYP17A1 (0.37) HTTLMNAMAPT
SCHEMBL3768069 0.72 HTT (0.51) HTTMAPK1TP53LMNAAKT2
SCHEMBL12777845 0.72 DYRK1A (0.46)
SCHEMBL29898244 0.72 HTT (0.86) HTTMAPK1TP53LMNAAKT2
SCHEMBL6755685 0.72 HTT (0.86) HTTMAPK1TP53LMNAAKT2
SCHEMBL12048138 0.72 HTT (0.86) HTTMAPK1TP53LMNAAKT2
SCHEMBL4653909 0.70 HTT (0.57) HTTMAPK1TP53LMNAAKT2
SCHEMBL29952527 0.70 HTT (0.46) HTTMAPK1TP53LMNAAKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855285-B2 Methods for selective N-9 glycosylation of purines BRIGHAM YOUNG UNIVERSITY (US) 2010-12-21 US disclosed
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines BRIGHAM YOUNG UNIVERSITY (US) 2008-08-28 US disclosed
EP-1895841-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES Brigham Young University (US) 2008-03-12 EP disclosed
WO-2006138396-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES BRIGHAM YOUNG UNIVERSITY, TRANSFER TECHNOLOGY OFFICE (US) 2006-12-28 WO 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-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines PNP, SLC29A2, SLC28A2 HTT 4119/4885MAPK1 2282/4885TP53 3966/4885

“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.