SCHEMBL5147960

SCHEMBL5147960

CCCCOc1nc(-c2ccc(=O)n(C)n2)c(-c2ccccc2)nc1N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
TLR8 Q9NR97 2/20 0.39
ADORA2A P29274 2/20 0.38
PKM P14618 1/20 0.37
KCNH2 Q12809 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.36
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL5152617 0.91 PKM (0.41) HRH3TLR8ADORA2APKMADORA2B
SCHEMBL5148981 0.89 ADORA2A (0.40) HRH3ADORA2APKMHSD17B10ADORA2B
SCHEMBL5149124 0.88 PKM (0.41) HRH3ADORA2APKMADORA2BADORA1
SCHEMBL5149212 0.87 SRC (0.40) HRH3TLR8TLR7
SCHEMBL5152669 0.86 PKM (0.51) ADORA2APKMHSD17B10ADORA2BADORA1
SCHEMBL5150911 0.83 MEN1 (0.49) HRH3ADORA2AADORA2BADORA1
SCHEMBL5150924 0.81 ADORA2A (0.41) ADORA2APKMHSD17B10ADORA2BADORA1
SCHEMBL5147984 0.80 BRD4 (0.43) ADORA2APKMHSD17B10ADORA2BADORA1
SCHEMBL5149018 0.80 TLR8 (0.46) TLR8HSD17B10TLR7
SCHEMBL5152718 0.80 ADORA2A (0.43) ADORA2AHSD17B10ADORA2BADORA1

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN disclosed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 WO disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 US 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 (1 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 HRH3 43/4885TLR8 4659/4885ADORA2A 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.