SCHEMBL2060179

SCHEMBL2060179

Cc1ccc(Cn2c(O)nc3c(N)nc(NCCO)nc32)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.52
CDK1 P06493 2/20 0.49
ADORA2A P29274 6/20 0.40
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
CDK2 P24941 1/20 0.40
TMIGD3 P0DMS9 3/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 3/20 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
SCHEMBL31042226 0.90 TLR7 (0.65) TLR7ADORA2ATMIGD3ADORA2BADORA1
SCHEMBL4458518 0.90 TLR7 (0.65) TLR7ADORA2ATMIGD3ADORA2BADORA1
SCHEMBL2060449 0.88 TLR7 (0.51) TLR7CDK1ADORA2ACCNKCDK12
SCHEMBL2060312 0.86 TLR7 (0.44) TLR7CDK1ADORA2ACDK2TMIGD3
SCHEMBL2060383 0.85 TLR7 (0.49) TLR7ADORA2A
SCHEMBL2060567 0.85 TLR7 (0.48) TLR7ADORA2A
SCHEMBL2060250 0.84 TLR7 (0.46) TLR7ADORA2AADORA1
SCHEMBL2060224 0.83 ADORA2A (0.50) TLR7CDK1ADORA2ACDK2TMIGD3
SCHEMBL2060288 0.83 CDK1 (0.58) TLR7CDK1ADORA2ACCNKCDK12
SCHEMBL4669726 0.81 TLR7 (0.55) TLR7ADORA2ATMIGD3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TLR7 265/4885CDK1 606/4885ADORA2A 6/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TLR7 265/4885CDK1 606/4885ADORA2A 6/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885CDK1 665/4885ADORA2A 4/4885

“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.