SCHEMBL3857910

SCHEMBL3857910

C=C(COP(C)(=O)OCC(=C)Cn1cnc2c(=O)[nH]c(N)nc21)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 10/20 0.53
▸ PNP P00491 8/20 0.53
▸ BLM P54132 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EDNRA P25101 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HBB P68871 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ POLG P54098 1/20 0.52
▸ TK1 P04183 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ VCP P55072 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3857914 0.89 HPRT1 (0.53) HPRT1PNP
SCHEMBL3857906 0.84 HPRT1 (0.66) HPRT1PNP
SCHEMBL6266779 0.83 TK1 (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL17197636 0.82 HPRT1 (0.54) HPRT1PNPBLMUSP2TSHR
SCHEMBL7627167 0.82 PNP (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL20997487 0.81 HPRT1 (0.47) HPRT1PNPBLMUSP2TSHR
SCHEMBL17194164 0.81 HPRT1 (0.52) HPRT1PNPBLMUSP2TSHR
SCHEMBL6834577 0.80 PNP (0.56) HPRT1PNPBLMUSP2TSHR
SCHEMBL3850990 0.80 HSP90AB1 (0.46) —
SCHEMBL6265535 0.80 TK1 (0.61) HPRT1PNPBLMUSP2TSHR

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-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 — — 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-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 HPRT1 16/4885PNP 15/4885BLM 3696/4885

“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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