SCHEMBL4026191

SCHEMBL4026191

COC(=O)c1nc(-c2cccc(O)c2)n(C)c(=O)c1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
GAA P10253 2/20 0.40
COMT P21964 1/20 0.39
CASR P41180 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6690248 0.99 ADORA2A (0.40) ADORA2AADORA2BGAACOMTCASR
SCHEMBL6690246 0.94 ERCC1 (0.42) ADORA2AADORA2BGAACOMTCASR
SCHEMBL13824026 0.84 ADORA2A (0.45) ADORA2AADORA2BGAAKDM4EALDH1A1
SCHEMBL4028967 0.83 SMPD1 (0.46) COMTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13823925 0.80 NPC1 (0.42) GAAKDM4EALDH1A1GABRG2GABRB3
SCHEMBL4026627 0.78 ERCC1 (0.56) GAAKDM4EALDH1A1ERCC1FEN1
SCHEMBL22078872 0.76 ERCC1 (0.56) ADORA2AADORA2BKDM4EALDH1A1ERCC1
SCHEMBL4028621 0.74 RAB9A (0.40) ADORA2AADORA2BGAAKDM4EALDH1A1
SCHEMBL4030768 0.74 ERCC1 (0.57) ADORA2BGAACOMTCASRALDH1A1
SCHEMBL13041236 0.73 KMT2A (0.40) ADORA2AADORA2BGAAKDM4EALDH1A1

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 2 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 disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ADORA2A 3227/4885ADORA2B 3103/4885GAA 339/4885

“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.