SCHEMBL3786829

SCHEMBL3786829

CC(=O)Nc1nc(-n2ccnc2)c2[nH]cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.44
CD38 P28907 7/20 0.42
STAT3 P40763 3/20 0.41
NEK2 P51955 1/20 0.39
BRAF P15056 1/20 0.39
SRC P12931 2/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TGFB2 P61812 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL3786825 0.82 CD38 (0.36) CD38
SCHEMBL3780112 0.74 HRH4 (0.51) GDA
SCHEMBL3799224 0.74 XDH (0.44) CD38
SCHEMBL887125 0.74 GDA (0.55) GDASTAT3NEK2BRAFSRC
SCHEMBL750335 0.74 GDA (0.55) GDASTAT3NEK2BRAFSRC
SCHEMBL31506448 0.74 GDA (0.55) GDASTAT3NEK2BRAFSRC
SCHEMBL14938904 0.72 GDA (0.54) GDANEK2BRAFSRC
SCHEMBL5197101 0.72 GDA (0.54) GDASTAT3NEK2BRAFSRC
SCHEMBL3768069 0.69 HTT (0.51) CHEK1
SCHEMBL4945758 0.69 GDA (0.50) GDASTAT3NEK2BRAFSRC

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
CN-101257797-B Methods for selective N-9 glycosylation of purines UNIV BRIGHAM YOUNG 2013-06-12 CN disclosed
US-7855285-B2 Methods for selective N-9 glycosylation of purines BRIGHAM YOUNG UNIVERSITY (US) 2010-12-21 US disclosed
CN-101257797-A Methods for selective N-9 glycosylation of purines UNIV BRIGHAM YOUNG (US) 2008-09-03 CN disclosed
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines BRIGHAM YOUNG UNIVERSITY (US) 2008-08-28 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 (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 GDA 166/4885CD38 114/4885STAT3 4189/4885

“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.