SCHEMBL5147952

SCHEMBL5147952

CC(C)n1nc(-c2nc(NCc3ccco3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 4/20 0.42
POLB P06746 3/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 7/20 0.40
NPSR1 Q6W5P4 3/20 0.40
F2 P00734 2/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
PDE5A O76074 1/20 0.39
REN P00797 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5148992 0.88 ADORA2A (0.42) KDM4EHSD17B10TSHRPOLBRECQL
SCHEMBL5149144 0.87 LDHA (0.39) KDM4EHSD17B10TSHRMAPTF2
SCHEMBL6134008 0.85 ADORA2A (0.47) KDM4EHSD17B10TSHRPOLBRECQL
SCHEMBL5147963 0.83 HIF1A (0.43) KDM4EHSD17B10TSHRPOLBUSP2
SCHEMBL5149185 0.82 GABRA1 (0.38) KDM4EHSD17B10TSHRPOLBRECQL
SCHEMBL5149119 0.81 GSK3B (0.39) KDM4EHPGDF2ALDH1A1LMNA
SCHEMBL5150946 0.81 TLR8 (0.44) KDM4EHSD17B10POLBHPGDMAPT
SCHEMBL5150823 0.81 KDM4E (0.39) KDM4ETSHRPOLBHPGDMAPT
SCHEMBL5147948 0.81 HIF1A (0.44) KDM4EHSD17B10POLBHPGDMAPK1
SCHEMBL5149173 0.80 HTR7 (0.37)

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 KDM4E 3683/4885HSD17B10 873/4885TSHR 1058/4885

“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.