SCHEMBL4746845

SCHEMBL4746845

COc1ccc(CN2CCc3c(c(O)c4n3CCN(Cc3ccc(F)cc3)C4=O)C2=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MCHR1 Q99705 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 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
SCHEMBL5126325 0.88 KCNH2 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4751130 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL4750297 0.85 KCNH2 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4746127 0.82 KCNH2 (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4744312 0.82 KCNH2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4745898 0.82 KCNH2 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4743883 0.81 KCNH2 (0.43) ALDH1A1SMN1; SMN2AKR1B1LMNAHTT
SCHEMBL4746501 0.78 KCNH2 (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4746444 0.78 CLPP (0.44) ALDH1A1SMN1; SMN2GAAAKR1B1LMNA
SCHEMBL4748853 0.78 CLPP (0.44) ALDH1A1SMN1; SMN2GAAAKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 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-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP 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-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
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP ALDH1A1 815/4885SMN1; SMN2 3773/4885KDM4E 504/4885

“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.