SCHEMBL5147991

SCHEMBL5147991

CC(C)n1nc(-c2nc(C#N)c(C(N)=O)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
RET P07949 1/20 0.36
MAP2K3 P46734 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.35
KDM5A P29375 4/20 0.34
ACMSD Q8TDX5 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5D Q9BY66 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
USP8 P40818 1/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5149107 1.00 TP53 (0.37) TP53RETMAP2K3ADORA2AADORA1
SCHEMBL5152899 0.88 USP8 (0.40) TP53ADORA2AADORA1POLBKDM5A
SCHEMBL5147962 0.87 USP8 (0.46) TP53RETADORA2AADORA1KDM5A
SCHEMBL5147922 0.87 USP8 (0.46) TP53RETADORA2AADORA1KDM5A
SCHEMBL5149097 0.85 RET (0.41) TP53RETMAP2K3ADORA2APOLB
SCHEMBL5152629 0.85 RET (0.41) TP53RETMAP2K3ADORA2APOLB
SCHEMBL6539002 0.82 RET (0.37) TP53RETMAP2K3ADORA2AADORA1
SCHEMBL5149199 0.81 USP8 (0.50) TP53ADORA2AADORA1KDM5AKDM6B
SCHEMBL5152639 0.80 PLAU (0.40) TP53RETADORA2APOLBKDM4E
SCHEMBL5149146 0.80 TP53 (0.39) TP53ADORA2AADORA1POLBKDM5A

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 TP53 2221/4885RET 2434/4885MAP2K3 3138/4885

“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.