SCHEMBL4025971

SCHEMBL4025971

Cn1c(-c2nccs2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.61
ERCC1 P07992 2/20 0.61
ERCC4 Q92889 2/20 0.61
ECE1 P42892 1/20 0.38
HSF1 Q00613 1/20 0.37
SMPD3 Q9NY59 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PORCN Q9H237 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MAT2A P31153 1/20 0.32

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
SCHEMBL4028118 0.81 ERCC1 (0.40) FEN1ERCC1ERCC4ECE1HSF1
SCHEMBL4029253 0.77 FEN1 (0.63) FEN1ERCC1ERCC4KDM4EMEN1
SCHEMBL6436946 0.76 FEN1 (0.62) FEN1ERCC1ERCC4
SCHEMBL4027678 0.76 FEN1 (0.62) FEN1ERCC1ERCC4NPSR1
SCHEMBL4032042 0.76 ERCC1 (1.00) FEN1ERCC1ERCC4KDM4EMEN1
Hydrochloric Acid SCHEMBL4031283 0.75 FEN1 (0.60) FEN1ERCC1ERCC4
SCHEMBL4028964 0.74 FEN1 (0.59) FEN1ERCC1ERCC4ALDH1A1HPGD
SCHEMBL13898550 0.74 HDAC3 (0.38) FEN1ERCC1ERCC4ECE1KDM4E
SCHEMBL4028016 0.74 FEN1 (0.58) FEN1ERCC1ERCC4ALDH1A1
SCHEMBL4026398 0.73 ERCC1 (0.61) FEN1ERCC1ERCC4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US claimed
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US disclosed
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E FEN1 343/4885ERCC1 3181/4885ERCC4 1663/4885

“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.