SCHEMBL5148959

SCHEMBL5148959

CC(C)n1nc(-c2nc(OC3CCN(Cc4ccccc4)CC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ROCK1 Q13464 2/20 0.40
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
AKT1 P31749 4/20 0.37
AKT2 P31751 4/20 0.37
OPRK1 P41145 1/20 0.36
AKT3 Q9Y243 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ROCK2 O75116 1/20 0.36
CCR2 P41597 1/20 0.36

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) HRH3SMN1; SMN2GAAROCK1KCNH2
SCHEMBL5149127 0.90 ROCK1 (0.43) HRH3ROCK1KCNH2ROCK2CCR2
SCHEMBL5149179 0.89 SMN1; SMN2 (0.42) HRH3SMN1; SMN2GAAROCK1KCNH2
SCHEMBL5149115 0.87 HRH3 (0.42) HRH3AKT1AKT2
SCHEMBL5152286 0.83 ACHE (0.47) HRH3SMN1; SMN2GAADRD2DRD4
SCHEMBL5151087 0.80 MALT1 (0.43) SMN1; SMN2OPRK1DRD2DRD4ROCK2
SCHEMBL5149200 0.80 SRC (0.43)
SCHEMBL5150959 0.79 FGFR1 (0.39) SMN1; SMN2
SCHEMBL5148946 0.78 SMN1; SMN2 (0.37) HRH3SMN1; SMN2
SCHEMBL5148967 0.78 HRH3 (0.36) HRH3

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 HRH3 43/4885SMN1; SMN2 1645/4885GAA 1578/4885

“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.