SCHEMBL4745304

SCHEMBL4745304

CN1CCc2c(c(O)c3n2CCN(Cc2ccc(Cl)c(Cl)c2)C3=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
LIPG Q9Y5X9 5/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPC P11150 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
APAF1 O14727 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
SCHEMBL4743344 0.91 CLPP (0.39) MAOBDRD3KCNH2ERCC1ERCC4
SCHEMBL4749960 0.87 CLPP (0.44) MAOBDRD3KCNH2ALDH1A1ADORA2A
SCHEMBL4745898 0.86 KCNH2 (0.43) KCNH2ALDH1A1POLBSMN1; SMN2
SCHEMBL4750174 0.85 CLPP (0.41) MAOBKCNH2ALDH1A1
SCHEMBL4322869 0.78 MAOB (0.44) MAOBDRD3KCNH2ALDH1A1POLB
SCHEMBL4744312 0.78 KCNH2 (0.41) KCNH2ALDH1A1POLBSMN1; SMN2
SCHEMBL5126325 0.77 KCNH2 (0.47) KCNH2ALDH1A1POLBSMN1; SMN2
SCHEMBL3908186 0.77 ERCC1 (0.43) MAOBDRD3KCNH2ALDH1A1POLB
SCHEMBL4327984 0.76 MAOB (0.41) MAOBDRD3KCNH2LIPGALDH1A1
SCHEMBL4684887 0.75 MAOB (0.42) MAOBDRD3KCNH2ALDH1A1POLB

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 MAOB 423/4885DRD3 1007/4885KCNH2 1318/4885

“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.