SCHEMBL4585557

SCHEMBL4585557

Cn1cc(-c2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.65
ADORA1 P30542 11/20 0.57
BRD4 O60885 1/20 0.48
ADORA2B P29275 5/20 0.48
CREBBP Q92793 1/20 0.41

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
SCHEMBL4585883 0.90 ADORA2A (0.65) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL29987316 0.90 ADORA2A (0.65) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL4583598 0.89 ADORA2A (0.55) ADORA2AADORA1ADORA2B
SCHEMBL4584010 0.86 ADORA2A (0.64) ADORA2AADORA1ADORA2B
SCHEMBL4585704 0.82 ADORA2A (0.46) ADORA2AADORA1BRD4ADORA2B
SCHEMBL4585460 0.81 ADORA2A (0.57) ADORA2AADORA1ADORA2B
SCHEMBL4584950 0.81 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL29907736 0.81 ADORA2A (0.52) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL22552019 0.81 ADORA2A (0.52) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL4584433 0.80 ADORA2A (0.56) ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA1 3/4885BRD4 3462/4885

“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.