SCHEMBL4451634

SCHEMBL4451634

Cc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.61
DPP4 P27487 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL27800067 0.82 XDH (0.44) XDHDPP4PDPK1GDAADORA3
SCHEMBL37384 0.79 DPP4 (0.66) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL20611894 0.79 PDPK1 (0.44) XDHDPP4PDPK1GDAADORA3
SCHEMBL29366073 0.79 PDPK1 (0.44) XDHDPP4PDPK1GDAADORA3
SCHEMBL8719273 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL11456967 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
Hydrochloric Acid SCHEMBL4763244 0.78 DPP4 (0.63) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL24500763 0.76 XDH (0.56) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL5935896 0.76 CDK2 (0.61) XDHDPP4KDM4ESMN1; SMN2TMIGD3
SCHEMBL1193371 0.76 PDPK1 (0.41) XDHDPP4PDPK1GDAADORA3

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
EP-1844063-A4 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2009-06-17 EP disclosed
US-7410990-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-08-12 US disclosed
US-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside UTI LIMITED PARTNERSHIP (CA) 2008-03-20 US disclosed
EP-1844063-A1 PURINE NUCLEOSIDE ANALOGS Uti Limited Partnership (CA) 2007-10-17 EP disclosed
WO-2006081665-A1 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2006-08-10 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-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside PNP, MTAP, TYMP XDH 238/4885DPP4 365/4885KDM4E 3300/4885

“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.