SCHEMBL5149170

SCHEMBL5149170

CC(C)n1nc(-c2nc(C#Cc3cncn3C)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FGFR3 P22607 3/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
ADORA2A P29274 2/20 0.31
KDR P35968 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
UBE2N P61088 1/20 0.30
TP53 P04637 1/20 0.30
MAP3K14 Q99558 1/20 0.30

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 0.85 ABL1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGADORA2A
SCHEMBL5149232 0.82 RET (0.35) PIK3CDPIK3CAPIK3CBPIK3CGBMPR1B
SCHEMBL5149150 0.80 GRM5 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGADORA2A
SCHEMBL5147922 0.80 USP8 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGFGFR3
SCHEMBL5147962 0.80 USP8 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGFGFR3
SCHEMBL5149167 0.80 ADORA2A (0.35) PIK3CDPIK3CAPIK3CBPIK3CGBMPR1B
SCHEMBL5149021 0.79 CYP1A2 (0.32) ABL1RET
SCHEMBL5147958 0.78 ADORA2A (0.39) PIK3CDPIK3CAPIK3CBPIK3CGBMPR1B
SCHEMBL5150753 0.77 ADORA2A (0.38) PIK3CDPIK3CAPIK3CBPIK3CGBMPR1B
SCHEMBL5147937 0.76 TP53 (0.37) ADORA2ARETTP53

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 4 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
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 PIK3CD 2187/4885PIK3CA 1672/4885PIK3CB 3104/4885

“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.