SCHEMBL4857246

SCHEMBL4857246

Nc1nc2c(ncn2-n2cc(F)c(N)nc2=O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 9/20 0.46
▸ PNP P00491 3/20 0.43
▸ TK1 P04183 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 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
SCHEMBL4621403 0.85 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL986800 0.83 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.82 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL1825531 0.77 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL79000 0.76 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL1831279 0.76 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL72147 0.73 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL7513539 0.73 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL1375443 0.73 XDH (0.54) XDHPNPTK1BLMUSP2
SCHEMBL556881 0.72 XDH (0.50) XDHPNPTK1BLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439351-B2 2′ or 3′ -deoxy and 2′, 3′-dideoxy-β-L-pentofuranonucleo-side compounds, method of preparation and application in therapy, especially as anti-viral agents THE UAB RESEARCH FOUNDATION (US) 2008-10-21 — — US disclosed
US-20050101776-A1 2' or 3' -deoxy and 2' , 3' -dideoxy-beta-L-pentofuranonucleo-side compounds, method of preparation and application in therapy, especially as anti-viral agents GOSSELIN GILLES (FR) 2005-05-12 — — US disclosed
US-20020120130-A1 2' or 3' -deoxy and 2', 3' -dideoxy-beta-L-pentofuranonucleo-side compounds, method of preparation and application in therapy, especially as anti- viral agents GOSSELIN GILLES (FR) 2002-08-29 — — 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 (2 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-20050101776-A1 2' or 3' -deoxy and 2' , 3' -dideoxy-beta-L-pentofuranonucleo-side compounds, method of preparation and application in therapy, especially as anti-viral agents DUT, DCTD, DERA XDH 812/4885PNP 16/4885TK1 40/4885
US-20020120130-A1 2' or 3' -deoxy and 2', 3' -dideoxy-beta-L-pentofuranonucleo-side compounds, method of preparation and application in therapy, especially as anti- viral agents DUT, DCTD, TYMP XDH 880/4885PNP 18/4885TK1 26/4885

“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.

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