SCHEMBL3768069

SCHEMBL3768069

c1cn(-c2ncnc3nc[nH]c23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 4/20 0.50
AKT2 P31751 3/20 0.50
ALOX15 P16050 2/20 0.50
MAP3K5 Q99683 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CHEK1 O14757 1/20 0.48
PDPK1 O15530 1/20 0.48
PAK1 Q13153 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
EPHB2 P29323 1/20 0.47
PTK2B Q14289 1/20 0.46
PI4KA P42356 2/20 0.43

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
SCHEMBL4653909 0.80 HTT (0.57) HTTMAPK1TP53LMNAAKT2
SCHEMBL562493 0.80 HTT (0.57) HTTMAPK1TP53LMNAAKT2
SCHEMBL3780112 0.77 HRH4 (0.51) LMNAMAP3K5PDPK1HRH4TSHR
SCHEMBL3799224 0.77 XDH (0.44) XDH
SCHEMBL3768067 0.74 ALDH1A1 (0.41) HTTMAPK1TP53LMNAALOX15
SCHEMBL17364285 0.74 CA12 (0.61) HTTMAPK1TP53LMNAAKT2
SCHEMBL13140354 0.73 NOTUM (0.47) HTTMAPK1TP53LMNAALOX15
SCHEMBL3776995 0.72 HTT (0.53) HTTMAPK1TP53LMNAAKT2
SCHEMBL17371005 0.72 CA12 (0.52) HTTMAPK1TP53LMNAAKT2
SCHEMBL6762724 0.71 HTT (0.51) 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 11 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 claimed
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines BRIGHAM YOUNG UNIVERSITY (US) 2008-08-28 US claimed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
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
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
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 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 (4 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 HTT 4701/4885MAPK1 3365/4885TP53 3695/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 HTT 4701/4885MAPK1 3365/4885TP53 3695/4885
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines PNP, SLC29A2, SLC28A2 HTT 4119/4885MAPK1 2282/4885TP53 3966/4885
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B HTT 3947/4885MAPK1 2645/4885TP53 4344/4885

“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.