SCHEMBL5149109

SCHEMBL5149109

CC(C)n1nc(-c2nc(N3CCN(C)CC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.43
MAPT P10636 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HIF1A Q16665 1/20 0.39
HTR3A P46098 1/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATR Q13535 1/20 0.38
PIK3C2B O00750 1/20 0.37
CHEK1 O14757 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
SCHEMBL5151108 0.92 HRH3 (0.39) MAPTADORA2AADORA1NPSR1SMN1; SMN2
SCHEMBL5152699 0.92 MAPT (0.40) MAPTADORA2AADORA1NPSR1HTT
SCHEMBL5149031 0.91 ALDH1A1 (0.41) MAPTADORA2AADORA1NPSR1HTT
SCHEMBL5150733 0.89 ATR (0.37) HRH4ADORA2AADORA1HIF1AALDH1A1
SCHEMBL5150685 0.89 HSD17B10 (0.42) MAPTADORA2AADORA1NPSR1HTT
SCHEMBL5152349 0.88 SMO (0.46) MAPTADORA2AADORA1HIF1ANPSR1
SCHEMBL5149290 0.88 LMNA (0.43) MAPTHIF1APOLBNPSR1HTT
SCHEMBL5149198 0.86 SIRT1 (0.43) MAPTADORA2AADORA1NPSR1ALDH1A1
SCHEMBL5147939 0.85 HRH3 (0.39) ADORA2A
SCHEMBL5149172 0.84 KDM4E (0.40) MAPTHIF1APOLBNPSR1ALDH1A1

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 HRH4 31/4885MAPT 1048/4885ADORA2A 1/4885

“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.