SCHEMBL2589332

SCHEMBL2589332

Nc1c2ncnc-2nc(Cl)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 3/20 0.52
HSPA5 P11021 2/20 0.52
ADK P55263 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
GAPDH P04406 2/20 0.47
SLC28A2 O43868 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
SLC28A1 O00337 1/20 0.47
MAP3K7 O43318 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
PI4KA P42356 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
SCHEMBL2578106 0.88 ADK (0.50) HSPA8HSPA5ADKRXFP1CDK5
SCHEMBL2584815 0.83 HSPA5 (0.37) HSPA8HSPA5ADKRXFP1CDK5
SCHEMBL11047997 0.79 ADORA3 (0.48) HSPA8HSPA5RXFP1CDK5CDK5R1
SCHEMBL2580971 0.79 SLC29A1 (0.34) HSPA8HSPA5ADKRXFP1SMN1; SMN2
SCHEMBL10813250 0.79 TP53 (0.60) GAPDHSLC28A2SMN1; SMN2DPP4MEN1
SCHEMBL1628130 0.79 TP53 (0.60) GAPDHSLC28A2SMN1; SMN2DPP4MEN1
SCHEMBL3980502 0.79 TP53 (0.60) GAPDHSLC28A2SMN1; SMN2DPP4MEN1
Hydrochloric Acid SCHEMBL1582490 0.78 TP53 (0.59) GAPDHSLC28A2SMN1; SMN2DPP4MEN1
8-Chloroadenosine SCHEMBL987731 0.76 HSPA8 (0.78) HSPA8HSPA5ADKRXFP1GAPDH
8-Chloroadenosine SCHEMBL19680324 0.76 HSPA8 (0.78) HSPA8HSPA5ADKRXFP1GAPDH

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 HSPA8 4823/4885HSPA5 1617/4885ADK 1008/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH HSPA8 4599/4885HSPA5 2063/4885ADK 876/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP HSPA8 4839/4885HSPA5 2286/4885ADK 1033/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 HSPA8 4815/4885HSPA5 1835/4885ADK 1127/4885

“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.