SCHEMBL4749017

SCHEMBL4749017

Cc1cn(C)c(=O)c2c(O)c3n(c12)CCN(Cc1ccc(F)cc1)C3=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
GRM2 Q14416 1/20 0.44
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SCD O00767 1/20 0.36
AKR1B1 P15121 1/20 0.36
BRD4 O60885 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC1 Q13547 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL4743833 0.89 KCNH2 (0.41) KCNH2GRM2RAB9ALMNAPOLB
SCHEMBL4748622 0.84 POLB (0.42) KCNH2GRM2POLBKDM4ETP53
SCHEMBL4744811 0.84 KCNH2 (0.40) KCNH2GRM2LMNAKDM4EMAPT
SCHEMBL4753416 0.84 MEN1 (0.46) KCNH2GRM2POLBKDM4EMAPT
SCHEMBL3985751 0.82 GRM2 (0.45) KCNH2GRM2RAB9ALMNAPOLB
SCHEMBL4746430 0.82 SMN1; SMN2 (0.46) KCNH2GRM2RAB9ALMNAPOLB
SCHEMBL4747960 0.81 MAPT (0.35) KCNH2GRM2MAPTTP53MEN1
SCHEMBL14034064 0.81 KCNH2 (0.41) KCNH2GRM2RAB9ALMNAPOLB
SCHEMBL3982142 0.80 KCNH2 (0.42) KCNH2GRM2RAB9ALMNAPOLB
SCHEMBL1387122 0.79 GRM2 (0.43) KCNH2GRM2RAB9ALMNAPOLB

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 11 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-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
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 KCNH2 1318/4885GRM2 4487/4885RAB9A 2641/4885

“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.