SCHEMBL3799223

SCHEMBL3799223

Clc1nc(-n2ccnc2)c2nc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
CD38 P28907 6/20 0.33
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3780109 0.82 ADORA2A (0.40) CD38CYP3A4CYP1A2CYP2D6HSD17B10
SCHEMBL3768067 0.77 ALDH1A1 (0.41) CD38CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL17364326 0.77 AURKA (0.33) CLK4MKNK2
SCHEMBL3799224 0.77 XDH (0.44) NOTUMCD38
SCHEMBL3786825 0.75 CD38 (0.36) CD38CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL17856868 0.73 KDM4A (0.47) NOTUMCYP3A4CYP1A2CYP2D6MEN1
SCHEMBL11956176 0.72 CYP2E1 (0.33) CYP3A4ALDH1A1
SCHEMBL17364278 0.71 ADORA2A (0.33)
SCHEMBL14183741 0.71 HTT (0.41) HSD17B10LMNATP53TDP1ALDH1A1
SCHEMBL14183739 0.70 ADORA3 (0.42) LMNATP53ALDH1A1ALOX15MAPK1

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 2 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

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 NOTUM 3138/4885CD38 114/4885CYP3A4 913/4885

“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.