SCHEMBL5152349

SCHEMBL5152349

CC(=O)N1CCN(c2nc(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)nc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.46
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
ABCB1 P08183 1/20 0.42
NCF1 P14598 2/20 0.40
TP53 P04637 1/20 0.39
NPY5R Q15761 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
RCE1 Q9Y256 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
P2RX3 P56373 2/20 0.37

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 0.88 HRH3 (0.39) TP53NPSR1MAPTABCG2ADORA2A
SCHEMBL5149109 0.88 HRH4 (0.43) ALDH1A1NPSR1MAPTHIF1AADORA2A
SCHEMBL5152699 0.88 MAPT (0.40) TP53KDM4EALDH1A1HPGDNPSR1
SCHEMBL5149031 0.87 ALDH1A1 (0.41) NPY5RKDM4EALDH1A1HPGDNPSR1
SCHEMBL5150733 0.85 ATR (0.37) NCF1NPY5RALDH1A1HPGDHIF1A
SCHEMBL5150685 0.85 HSD17B10 (0.42) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL5149290 0.84 LMNA (0.43) SMOTP53KDM4EALDH1A1HPGD
SCHEMBL5149198 0.83 SIRT1 (0.43) TP53ALDH1A1NPSR1MAPTADORA2A
SCHEMBL5147939 0.82 HRH3 (0.39) HPGDADORA2AGRIA1
SCHEMBL5149172 0.81 KDM4E (0.40) KDM4EALDH1A1NPSR1MAPTHIF1A

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 SMO 1185/4885CKS1B 3094/4885SKP1 2006/4885

“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.