SCHEMBL4743154

SCHEMBL4743154

O=C1c2c(O)c3n(c2CCN1Cc1ccc(F)cc1)CCN(c1ccccc1)C3=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
P2RX7 Q99572 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
CLPP Q16740 2/20 0.41
AKR1B1 P15121 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HDAC1 Q13547 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4749607 0.89 KCNH2 (0.39) RAB9ALMNASMN1; SMN2L3MBTL1KCNH2
SCHEMBL5126325 0.87 KCNH2 (0.47) RAB9ALMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL4746542 0.86 KCNH2 (0.41) RAB9AP2RX7LMNASMN1; SMN2L3MBTL1
SCHEMBL4744312 0.83 KCNH2 (0.41) RAB9ALMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL4750297 0.82 KCNH2 (0.43) RAB9ALMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL4746127 0.81 KCNH2 (0.44) RAB9ALMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL4746501 0.81 KCNH2 (0.43) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL4743883 0.80 KCNH2 (0.43) LMNASMN1; SMN2L3MBTL1KCNH2GRM2
SCHEMBL4746444 0.79 CLPP (0.44) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL4748853 0.79 CLPP (0.44) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2

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
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-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-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 (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 RAB9A 2641/4885P2RX7 1217/4885LMNA 2784/4885

“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.