SCHEMBL5147909

SCHEMBL5147909

CC(C)n1nc(-c2nc(NC3CCCCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
SLC2A1 P11166 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PDE5A O76074 2/20 0.39
ACP1 P24666 2/20 0.39
ADORA3 P0DMS8 5/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
MAPT P10636 2/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 3/20 0.36
MEN1 O00255 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
SCHEMBL5152286 0.87 ACHE (0.47) KMT2AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5147973 0.86 LDHA (0.42) KMT2ANPSR1PDE5AADORA3MAPT
SCHEMBL5151087 0.83 MALT1 (0.43) KMT2AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5152832 0.82 MERTK (0.41) KMT2AKDM4ELMNATDP1MAPT
SCHEMBL5149115 0.81 HRH3 (0.42) TP53
SCHEMBL27659526 0.80 TP53 (0.37) KDM4ELMNATDP1MAPTADORA2A
SCHEMBL5147958 0.80 ADORA2A (0.39) KDM4ELMNASMN1; SMN2TDP1MAPT
SCHEMBL5152713 0.80 ACHE (0.43) KMT2AACP1MAPTADORA2AADORA1
SCHEMBL5149144 0.79 LDHA (0.39) KDM4EHTTSMN1; SMN2TDP1ADORA3
SCHEMBL6134830 0.78 ADORA2A (0.43) ADORA2AADORA1TP53

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 KMT2A 1528/4885KDM4E 3683/4885LMNA 2809/4885

“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.