SCHEMBL2060202

SCHEMBL2060202

Nc1nc(NCCO)nc2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.63
ADORA1 P30542 11/20 0.63
ADORA2B P29275 9/20 0.63
TMIGD3 P0DMS9 8/20 0.63
CDK1 P06493 3/20 0.47
TLR7 Q9NYK1 2/20 0.47
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CCNB1 P14635 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL7204596 0.89 ADORA1 (0.78) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7210294 0.88 ADORA2A (0.72) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7208425 0.88 ADORA2A (0.76) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060224 0.87 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3CDK1
SCHEMBL7209091 0.86 ADORA2A (0.74) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7205425 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7209457 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL7209452 0.85 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL2060449 0.84 TLR7 (0.51) ADORA2AADORA1ADORA2BTMIGD3CDK1
SCHEMBL7211527 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA2BTMIGD3TLR7

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 7 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
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 ADORA2A 6/4885ADORA1 1/4885ADORA2B 29/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ADORA2A 6/4885ADORA1 1/4885ADORA2B 29/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA2A 4/4885ADORA1 1/4885ADORA2B 17/4885

“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.