SCHEMBL4748622

SCHEMBL4748622

CNC(=O)c1cn(C)c(=O)c2c(O)c3n(c12)CCN(Cc1ccc(F)cc1)C3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
BRD4 O60885 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
TP53 P04637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4753416 0.89 MEN1 (0.46) POLBBRD4LIPGKCNH2GRM2
SCHEMBL4749017 0.84 KCNH2 (0.44) POLBBRD4KCNH2GRM2TP53
SCHEMBL4743833 0.84 KCNH2 (0.41) POLBKCNH2GRM2TP53MEN1
SCHEMBL4744811 0.81 KCNH2 (0.40) KCNH2GRM2TP53MEN1KMT2A
SCHEMBL4689365 0.77 POLB (0.48) POLBBRD4TP53MEN1KMT2A
SCHEMBL14034064 0.76 KCNH2 (0.41) POLBLIPGKCNH2GRM2TP53
SCHEMBL3985751 0.76 GRM2 (0.45) POLBKCNH2GRM2TP53MEN1
SCHEMBL4326952 0.75 POLB (0.47) POLBBRD4MEN1KMT2A
SCHEMBL3982142 0.75 KCNH2 (0.42) POLBKCNH2GRM2TP53MEN1
SCHEMBL3985740 0.74 MEN1 (0.43) POLBKCNH2GRM2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US claimed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US claimed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US claimed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP claimed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 POLB 4707/4885BRD4 561/4885LIPG 4677/4885
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP POLB 20/4885BRD4 694/4885LIPG 4739/4885

“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.