SCHEMBL5149150

SCHEMBL5149150

CC(C)n1nc(-c2nc(C#Cc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
ADORA2A P29274 11/20 0.35
ADK P55263 1/20 0.34
RET P07949 2/20 0.34
ABL1 P00519 1/20 0.34
PIK3CA P42336 3/20 0.33
PIK3CG P48736 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL5152650 0.87 ABL1 (0.43) GRM5ADORA2ARETABL1PIK3CA
SCHEMBL5149232 0.86 RET (0.35) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5147922 0.83 USP8 (0.46) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5147962 0.83 USP8 (0.46) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5149167 0.83 ADORA2A (0.35) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5149170 0.80 PIK3CD (0.34) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5147958 0.80 ADORA2A (0.39) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5149021 0.80 CYP1A2 (0.32) GRM5RETABL1
SCHEMBL5148960 0.79 POLB (0.39) ADORA2ARETABL1PIK3CAPIK3CG
SCHEMBL5147937 0.79 TP53 (0.37) ADORA2ARET

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 GRM5 144/4885ADORA2A 1/4885ADK 73/4885

“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.