SCHEMBL4583299

SCHEMBL4583299

Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.47
PLAU P00749 2/20 0.46
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ADORA2A P29274 7/20 0.38
XDH P47989 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
RNASEH1 O60930 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4585033 0.91 ATR (0.46) ATRPLAUMAPK1KDM4EADORA2A
SCHEMBL4584311 0.84 ALDH1A1 (0.48) ATRMAPK1KDM4ELMNAMAPT
SCHEMBL4586323 0.84 ATR (0.44) ATRPLAUMAPK1KDM4EADORA2A
SCHEMBL3866288 0.84 PLAU (0.59) PLAUMAPK1KDM4ELMNAADORA2A
SCHEMBL4583921 0.77 USP8 (0.50) ATRKDM4ELMNAADORA2AXDH
SCHEMBL5703293 0.74 PLAU (0.40) PLAUMAPK1KDM4ELMNAADORA2A
SCHEMBL4584433 0.74 ADORA2A (0.56) PLAUADORA2A
SCHEMBL21722434 0.73 ADORA2A (0.56) PLAUADORA2A
SCHEMBL3864268 0.72 PLAU (0.54) PLAUMAPK1KDM4ELMNAXDH
SCHEMBL11374767 0.72 PLAU (0.54) PLAUKDM4ELMNAXDHALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ATR 3727/4885PLAU 1420/4885MAPK1 1572/4885

“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.