SCHEMBL2582443

SCHEMBL2582443

CC(=O)OC[C@H]1O[C@@H](n2cnc3ncnc-3c2NC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
LMNA P02545 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PRMT6 Q96LA8 1/20 0.46
TSHR P16473 1/20 0.45
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42

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
SCHEMBL2586052 0.93 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2584409 0.89 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2583650 0.84 PRMT6 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8905007 0.81 PRKAB2 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2585674 0.81 LMNA (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10899679 0.81 LMNA (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2587773 0.80 LMNA (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2579910 0.79 ALDH1A1 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2584744 0.78 PRMT6 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6397349 0.76 CYP1A2 (0.50) LMNAALDH1A1TP53TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 PRKAB2 3248/4885PRKAG1 3728/4885PRKAA2 3900/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PRKAB2 2956/4885PRKAG1 3535/4885PRKAA2 3823/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PRKAB2 3714/4885PRKAG1 3961/4885PRKAA2 4505/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 PRKAB2 3479/4885PRKAG1 3892/4885PRKAA2 4016/4885

“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.