SCHEMBL2568588

SCHEMBL2568588

Cc1nc(NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.66
NUDT1 P36639 2/20 0.53
NPY5R Q15761 1/20 0.51
ADORA2A P29274 1/20 0.51
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDK1 P06493 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
PSMD14 O00487 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL16206181 0.80 TLR7 (1.00) TLR7NUDT1ADORA2A
SCHEMBL12164383 0.80 TLR7 (0.67) TLR7NPY5RKDM4EMEN1KMT2A
SCHEMBL12164386 0.80 HPGD (0.57) TLR7NUDT1ADORA2AKDM4EMEN1
SCHEMBL823233 0.79 TLR7 (0.48) TLR7NUDT1ADORA2ACYP3A4CDK1
SCHEMBL19924572 0.75 TLR7 (0.47) TLR7NUDT1SMN1; SMN2KDM4EMEN1
SCHEMBL2565121 0.73 TLR7 (0.49) TLR7CYP3A4CDK1KDM4EMEN1
SCHEMBL18207319 0.73 NUDT1 (0.48) TLR7NUDT1ADORA2AMEN1KMT2A
SCHEMBL18207656 0.73 MEN1 (0.48) TLR7NUDT1ADORA2AMEN1KMT2A
SCHEMBL2572120 0.72 TLR7 (0.69) TLR7
SCHEMBL2572493 0.72 TLR7 (0.48) TLR7NUDT1CYP3A4KDM4EMEN1

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
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
CN-101384593-A 3-deazapurine derivatives as tlr7 modulators PFIZER LTD (GB) 2009-03-11 CN disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 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 (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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 TLR7 7/4885NUDT1 1340/4885NPY5R 1900/4885

“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.