SCHEMBL4528206

SCHEMBL4528206

O=c1c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2nc2[nH]ccn12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ADRB1 P08588 1/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ PIM1 P11309 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48
▸ POLA1 P09884 1/20 0.47

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
SCHEMBL24258539 0.82 SLC29A1 (0.42) LMNA
SCHEMBL20908767 0.82 ALDH1A1 (0.59) PNPLMNATP53HTTPDE4D
SCHEMBL4858272 0.82 HPGD (0.59) LMNATP53HIF1A
SCHEMBL29450646 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23647920 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23666665 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23892098 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23647919 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL20547890 0.79 ADORA2A (0.55) LMNATP53PDE4DPDE3AHIF1A
SCHEMBL22577530 0.79 HPGD (0.48) LMNATP53PDE4DPDE3AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263871-A1 Methods and Compositions for Amplification of DNA SIGMA-ALDRICH CO. (US) 2009-10-22 — — US disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
US-20080124768-A1 Methods and Compositions for Amplification of DNA SIGMA ALDRICH CO. (US) 2008-05-29 — — US disclosed
US-20080044883-A1 Methods and Compositions for Amplification of DNA SIGMA ALDRICH CO. (US) 2008-02-21 — — US disclosed
EP-1658374-A4 METHODS AND COMPOSITIONS FOR AMPLIFICATION OF DNA SIGMA ALDRICH CO (US) 2007-04-11 — — EP disclosed
US-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof BAR-ILAN UNIVERSITY (IL) 2006-07-27 — — US disclosed
EP-1658374-A1 METHODS AND COMPOSITIONS FOR AMPLIFICATION OF DNA Sigma Aldrich Company (US) 2006-05-24 — — EP disclosed
WO-2005017173-A1 METHODS AND COMPOSITIONS FOR AMPLIFICATION OF DNA SIGMA ALDRICH CO. (US) 2005-02-24 — — WO disclosed
US-20050026147-A1 Methods and compositions for amplification of dna SIGMA ALDRICH CO. 2005-02-03 — — US disclosed
WO-1995021269-A1 METHOD AND APPARATUS FOR ANALYZING GENETIC MATERIAL PERLIN MARK K (US) 1995-08-10 — — WO 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-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof NUDT1, NT5C2, DUT PNP 15/4885LMNA 459/4885TP53 735/4885

“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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