SCHEMBL5149172

SCHEMBL5149172

CC(C)n1nc(-c2nc(N3CCN(Cc4ccccn4)CC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
GPR6 P46095 1/20 0.36
ACKR3 P25106 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 1/20 0.35
HRH1 P35367 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5149290 0.87 LMNA (0.43) KDM4EALDH1A1NPSR1MAPTTSHR
SCHEMBL5151108 0.84 HRH3 (0.39) NPSR1MAPTKMT2A
SCHEMBL5149109 0.84 HRH4 (0.43) ALDH1A1NPSR1MAPTL3MBTL1HIF1A
SCHEMBL5152699 0.84 MAPT (0.40) KDM4EALDH1A1NPSR1MAPTTSHR
SCHEMBL5149031 0.83 ALDH1A1 (0.41) KDM4EALDH1A1NPSR1MAPTTSHR
SCHEMBL5150733 0.81 ATR (0.37) ALDH1A1CYP1A2CYP2C19HIF1A
SCHEMBL5150685 0.81 HSD17B10 (0.42) KDM4EALDH1A1NPSR1MAPTTSHR
SCHEMBL5152349 0.81 SMO (0.46) KDM4EALDH1A1NPSR1MAPTHIF1A
SCHEMBL5149189 0.79 SYK (0.42)
SCHEMBL5149198 0.78 SIRT1 (0.43) ALDH1A1NPSR1MAPTMAPK1LMNA

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 KDM4E 3683/4885ALDH1A1 748/4885NPSR1 116/4885

“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.