SCHEMBL2060482

SCHEMBL2060482

COC(=O)CNc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.57
TMIGD3 P0DMS9 4/20 0.57
ADORA1 P30542 4/20 0.57
ADORA2B P29275 2/20 0.56
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
PNP P00491 1/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC2 Q92769 4/20 0.47
CFTR P13569 1/20 0.46
FLT3 P36888 1/20 0.45
CDK1 P06493 1/20 0.45
YTHDC1 Q96MU7 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL7209250 0.83 ADORA2A (0.69) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL7204064 0.83 ADORA2A (0.76) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL7205119 0.83 ADORA2A (0.64) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL2060080 0.82 PDE4A (0.53) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL7212614 0.81 ADORA2A (0.72) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL2060290 0.81 ADORA2A (0.65) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL2060291 0.81 TLR7 (0.47) ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL2060050 0.81 PDE4A (0.52) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL7204756 0.81 PDE4A (0.65) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL7209489 0.80 ADORA2A (0.61) ADORA2ATMIGD3ADORA1ADORA2BPDE4A

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 6/4885TMIGD3 2633/4885ADORA1 1/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ADORA2A 6/4885TMIGD3 2633/4885ADORA1 1/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA2A 4/4885TMIGD3 3551/4885ADORA1 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.