SCHEMBL2391004

SCHEMBL2391004

CCCCOc1nc(N)c2nc(OC)n(CCCCNC(=O)Nc3cccc(C(=O)OC)c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.49
CASR P41180 1/20 0.41
MDH1 P40925 2/20 0.40
GRK6 P43250 2/20 0.40
TLR8 Q9NR97 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2390075 0.89 TLR7 (0.46) TLR7KMT2A
SCHEMBL2388572 0.84 TLR7 (0.69) TLR7
SCHEMBL2389816 0.84 TLR7 (0.57) TLR7
SCHEMBL2389363 0.83 TLR7 (0.49) TLR7GRK6TLR8
SCHEMBL2387963 0.79 TLR7 (0.53) TLR7
SCHEMBL4107534 0.78 TLR7 (0.48) TLR7HSD17B10KDM4EAPAF1NSD2
SCHEMBL2405086 0.78 KDM4E (0.47) TLR7HSD17B10KDM4EAPAF1NSD2
SCHEMBL2389644 0.77 TLR7 (0.58) TLR7
SCHEMBL12048980 0.77 TLR7 (0.56) TLR7
SCHEMBL5532528 0.77 TLR7 (0.48) TLR7

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
EP-1728793-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP 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 (3 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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG TLR7 8/4885CASR 1821/4885MDH1 4240/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG TLR7 8/4885CASR 1821/4885MDH1 4240/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG TLR7 13/4885CASR 2048/4885MDH1 4013/4885

“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.