SCHEMBL2060449

SCHEMBL2060449

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.51
ADORA2A P29274 7/20 0.50
ADORA1 P30542 5/20 0.50
ADORA2B P29275 4/20 0.50
TMIGD3 P0DMS9 3/20 0.50
CDK1 P06493 2/20 0.48
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
CDK2 P24941 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
SCHEMBL2060179 0.88 TLR7 (0.52) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2060341 0.86 ADORA2A (0.45) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2060202 0.84 ADORA2A (0.63) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2060288 0.82 CDK1 (0.58) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2060338 0.80 TLR7 (0.52) TLR7
SCHEMBL28929629 0.79 TMIGD3 (0.56) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL4458518 0.78 TLR7 (0.65) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL31042226 0.78 TLR7 (0.65) TLR7ADORA2AADORA1ADORA2BTMIGD3
Bromide SCHEMBL3134008 0.78 TMIGD3 (0.55) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL18584238 0.78 ADORA2A (0.59) TLR7ADORA2AADORA1ADORA2BTMIGD3

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-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
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
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 (2 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 265/4885ADORA2A 6/4885ADORA1 1/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885ADORA2A 4/4885ADORA1 1/4885

“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.