SCHEMBL2582568

SCHEMBL2582568

COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](I)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
SLC29A1 Q99808 5/20 0.58
ADORA2A P29274 3/20 0.58
ADORA3 P0DMS8 2/20 0.58
ADORA1 P30542 2/20 0.58
ADORA2B P29275 2/20 0.58
PGK1 P00558 1/20 0.53
PGK2 P07205 1/20 0.53

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
Nelarabine SCHEMBL9937290 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL14031852 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL13657986 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL1818971 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL18321891 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL2143756 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL18820 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL13575801 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL20769831 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1
Nelarabine SCHEMBL31326718 0.90 CYP2C19 (0.71) CYP2C19SLC29A1ADORA2AADORA3ADORA1

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 CYP2C19 265/4885SLC29A1 1/4885ADORA2A 327/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH CYP2C19 546/4885SLC29A1 13/4885ADORA2A 480/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP CYP2C19 492/4885SLC29A1 1/4885ADORA2A 200/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 CYP2C19 337/4885SLC29A1 1/4885ADORA2A 384/4885

“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.