SCHEMBL5147948

SCHEMBL5147948

COc1ccc(CNc2nc(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)nc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
TP53 P04637 1/20 0.42
APP P05067 2/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE9A O76083 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
PROKR1 Q8TCW9 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
SCHEMBL5149144 0.92 LDHA (0.39) HIF1ARXFP1TP53MAPTKDM4E
SCHEMBL5148007 0.89 MAPT (0.45) HIF1ARXFP1TP53MAPTKDM4E
SCHEMBL5149209 0.89 MAPT (0.45) HIF1ARXFP1TP53MAPTKDM4E
SCHEMBL5148003 0.88 HIF1A (0.46) HIF1ARXFP1TP53APPMAPT
SCHEMBL5149076 0.87 ALDH1A1 (0.46) HIF1ARXFP1TP53MAPTKDM4E
SCHEMBL5148912 0.87 ALDH1A1 (0.46) HIF1ARXFP1TP53MAPTKDM4E
SCHEMBL5152634 0.83 P2RX3 (0.37) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL5150680 0.83 GAA (0.45) HIF1AMAPTKDM4EALDH1A1MEN1
SCHEMBL5149215 0.83 GAA (0.45) HIF1AMAPTKDM4EALDH1A1MEN1
SCHEMBL5149119 0.82 GSK3B (0.39) HIF1ATP53APPKDM4EALDH1A1

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 HIF1A 416/4885RXFP1 762/4885TP53 2221/4885

“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.