SCHEMBL5149127

SCHEMBL5149127

CC(C)n1nc(-c2nc(OC3CCCN(Cc4ccccc4)C3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.43
ROCK2 O75116 3/20 0.43
KCNH2 Q12809 1/20 0.43
CCR2 P41597 1/20 0.39
BCHE P06276 3/20 0.38
MAOB P27338 2/20 0.38
CHEK2 O96017 1/20 0.38
MCHR1 Q99705 2/20 0.37
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT2B Q92831 2/20 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
SCHEMBL5149214 0.95 MCHR1 (0.41) ROCK1ROCK2KCNH2CHEK2MCHR1
SCHEMBL5148959 0.90 HRH3 (0.41) ROCK1ROCK2KCNH2CCR2HRH3
SCHEMBL5149115 0.86 HRH3 (0.42) HRH3
SCHEMBL5149179 0.79 SMN1; SMN2 (0.42) ROCK1KCNH2HRH3
SCHEMBL5151087 0.79 MALT1 (0.43) ROCK2BCHEKDM4E
SCHEMBL5149200 0.77 SRC (0.43)
SCHEMBL5152286 0.77 ACHE (0.47) BCHEHRH3KDM4E
SCHEMBL5150959 0.76 FGFR1 (0.39)
SCHEMBL5148946 0.76 SMN1; SMN2 (0.37) HRH3
SCHEMBL5152714 0.75 SRC (0.38) HRH3L3MBTL1

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 ROCK1 2583/4885ROCK2 2534/4885KCNH2 86/4885

“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.