SCHEMBL5490464

SCHEMBL5490464

Nc1nc2ncnc(S)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PNP P00491 2/20 0.42
NUDT1 P36639 4/20 0.40
PI4KA P42356 7/20 0.38
PI4K2B Q8TCG2 7/20 0.38
PI4K2A Q9BTU6 7/20 0.38
PI4KB Q9UBF8 7/20 0.38
LMNA P02545 2/20 0.34
DRD3 P35462 1/20 0.34
XDH P47989 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL1868817 0.80 ADORA2A (0.43) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL3799507 0.79 ADORA2A (0.37) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL42314 0.79 ADORA2A (0.66) ALDH1A1ADORA2AADORA1NUDT1PI4KA
SCHEMBL29400753 0.79 ADORA2A (0.66) ALDH1A1ADORA2AADORA1NUDT1PI4KA
SCHEMBL3857164 0.78 AKT2 (0.44) KDM4EADORA2AADORA1NUDT1PI4KA
Thioguanine SCHEMBL1445605 0.77 PNP (0.48) ALDH1A1HPGDHSD17B10PNPPI4KA
SCHEMBL320848 0.76 NUDT1 (0.43) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL6826187 0.76 NUDT1 (0.44) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL8823867 0.76 ADORA2A (0.35) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL5667619 0.76 ADORA2A (0.43) KDM4EMEN1ALDH1A1MAPTTHRB

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-20070160981-A1 VIRAL PROTEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-07-12 US disclosed
US-6589941-B1 Preventing or reducing formation of resistance in cytostatic treatment comprising combining BVDU, a salt thereof or BVDU in protected form or in prodrug form with at least one cytostatic agent in order to prevent or reduce the formation RESPROTECT GMBH (DE) 2003-07-08 US disclosed
EP-0806956-B1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT RESPROTECT GMBH (DE) 2002-08-28 EP disclosed
EP-0806956-A1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT AND MEDICAMENTS CONTAINING SAID NUCLEOSIDES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 1997-11-19 EP disclosed
WO-1996023506-A1 USE OF 5'SUBSTITUTED NUCLEOSIDES TO PROVIDE RESISTANCE IN CYTOSTATIC TREATMENT AND MEDICAMENTS CONTAINING SAID NUCLEOSIDES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 1996-08-08 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-20070160981-A1 VIRAL PROTEASE XPNPEP1, PREP, XPNPEP2 KDM4E 2733/4885MEN1 4194/4885ALDH1A1 4585/4885

“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.