SCHEMBL5149147

SCHEMBL5149147

CC(C)n1nc(-c2nc(C#N)c(N=CN(C)C)nc2-c2cccc(F)c2)ccc1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
CHEK1 O14757 1/20 0.32
ADORA2A P29274 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL5149141 1.00 KDM4E (0.32) KDM4EALDH1A1ADORA2BADORA1CHEK1
SCHEMBL5150871 0.90 ADORA2A (0.34) KDM4EALDH1A1ADORA1ADORA2A
SCHEMBL5150876 0.90 ADORA2A (0.34) KDM4EALDH1A1ADORA1ADORA2A
SCHEMBL5152763 0.83 ADORA2A (0.42) ADORA2BADORA1ADORA2AKDM5B
SCHEMBL5150681 0.81 USP8 (0.34) ALDH1A1
SCHEMBL5150678 0.81 USP8 (0.34) ALDH1A1
SCHEMBL5148909 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5148911 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5152899 0.74 USP8 (0.40) KDM4EALDH1A1ADORA1CHEK1ADORA2A
SCHEMBL5151091 0.72 ADORA2A (0.43) KDM4EALDH1A1ADORA2BADORA1ADORA2A

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 2 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
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 KDM4E 3683/4885ALDH1A1 748/4885ADORA2B 5/4885

“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.