SCHEMBL4472338

SCHEMBL4472338

Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OF)[C@@H](CO)O1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.74
PDE3A Q14432 2/20 0.74
PNP P00491 1/20 0.74
LMNA P02545 1/20 0.74
TP53 P04637 1/20 0.74
HTT P42858 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
RXFP1 Q9HBX9 1/20 0.74
ADORA3 P0DMS8 5/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 2/20 0.58
PDE2A O00408 1/20 0.58
ADRA1A P35348 1/20 0.58
NT5E P21589 2/20 0.55
CD99 P14209 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
SCHEMBL8970868 0.89 LMNA (0.58) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL2789344 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL21303677 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL3775 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL4527409 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL11949489 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL1697053 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL11948325 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL7969581 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53
Cladribine SCHEMBL17367349 0.85 PDE4D (1.00) PDE4DPDE3APNPLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757380-B2 Methods for treating neoplasia with combination of chemotherapeutic agents and radiation SOUTHERN RESEARCH INSTITUTE (US) 2017-09-12 US disclosed
EP-2136631-B1 METHODS FOR TREATING NEOPLASIA WITH COMBINATION OF CHEMOTHERAPEUTIC AGENTS AND RADIATION SOUTHERN RES INST (US) 2012-08-15 EP disclosed
EP-2136631-A1 METHODS FOR TREATING NEOPLASIA WITH COMBINATION OF CHEMOTHERAPEUTIC AGENTS AND RADIATION Southern Research Institute (US) 2009-12-30 EP disclosed
US-20080262003-A1 METHODS FOR TREATING NEOPLASIA WITH COMBINATION OF CHEMOTHERAPEUTIC AGENTS AND RADIATION SOUTHERN RESEARCH INSTITUTE OFFICE OF COMMERCIALIZATION AND INTELLECTUAL PROP (US) 2008-10-23 US disclosed
WO-2008128170-A1 METHODS FOR TREATING NEOPLASIA WITH COMBINATION OF CHEMOTHERAPEUTIC AGENTS AND RADIATION SOUTHERN RESEARCH INSTITUTE (US) 2008-10-23 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-20080262003-A1 METHODS FOR TREATING NEOPLASIA WITH COMBINATION OF CHEMOTHERAPEUTIC AGENTS AND RADIATION XPA, BRCA1, RAD51 PDE4D 4527/4885PDE3A 3559/4885PNP 3569/4885

“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.