SCHEMBL4746289

SCHEMBL4746289

O=C1NCCc2c1c(O)c1n2CCN(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RIPK3 Q9Y572 14/20 0.42
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
AKR1B1 P15121 1/20 0.39
RAB9A P51151 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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 0.86 KCNH2 (0.47) ALDH1A1POLBKCNH2GRM2AKR1B1
SCHEMBL4747819 0.83 ALDH1A1 (0.49) ALDH1A1POLBRIPK3KCNH2GRM2
SCHEMBL4746127 0.83 KCNH2 (0.44) ALDH1A1POLBRIPK3KCNH2GRM2
SCHEMBL4745898 0.82 KCNH2 (0.43) ALDH1A1POLBKCNH2GRM2AKR1B1
SCHEMBL4750297 0.81 KCNH2 (0.43) ALDH1A1POLBKCNH2GRM2AKR1B1
SCHEMBL4743883 0.79 KCNH2 (0.43) ALDH1A1KCNH2GRM2AKR1B1
SCHEMBL4746501 0.79 KCNH2 (0.43) ALDH1A1POLBRIPK3KCNH2GRM2
SCHEMBL4746444 0.79 CLPP (0.44) ALDH1A1KCNH2GRM2AKR1B1
SCHEMBL4748853 0.79 CLPP (0.44) ALDH1A1KCNH2GRM2AKR1B1
SCHEMBL4744312 0.78 KCNH2 (0.41) ALDH1A1POLBKCNH2GRM2AKR1B1

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 ALDH1A1 815/4885POLB 20/4885RIPK3 1891/4885

“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.