SCHEMBL5152832

SCHEMBL5152832

CC(C)n1nc(-c2nc(Nc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.41
TP53 P04637 2/20 0.41
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.34
CALCA P06881 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL27659526 0.85 TP53 (0.37) MERTKTP53POLBKDM4EPIK3CD
SCHEMBL5147958 0.85 ADORA2A (0.39) TP53POLBKDM4EPIK3CDABL1
SCHEMBL5149144 0.84 LDHA (0.39) TP53KDM4ELDHAATRMAPT
SCHEMBL5149110 0.83 PDE1A (0.41) TP53POLBKDM4EPIK3CDABL1
SCHEMBL5149119 0.83 GSK3B (0.39) TP53KDM4ELMNAADORA2AHPGD
SCHEMBL5150823 0.83 KDM4E (0.39) TP53POLBKDM4ESRCLMNA
SCHEMBL5150946 0.83 TLR8 (0.44) MERTKTP53POLBKDM4ELMNA
SCHEMBL5149057 0.82 TP53 (0.36) TP53POLBKDM4EPIK3CDABL1
SCHEMBL5150753 0.82 ADORA2A (0.38) TP53POLBKDM4EPIK3CDABL1
SCHEMBL5148960 0.82 POLB (0.39) TP53POLBKDM4EPIK3CDABL1

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN 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 MERTK 3461/4885TP53 2221/4885CDK4 3012/4885

“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.