SCHEMBL4754316

SCHEMBL4754316

CCN1C(=O)c2c(O)c3c(n2CC1(C)C)CCN(Cc1ccc(F)c(Cl)c1)C3=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
KCNH2 Q12809 1/20 0.32
AKR1B1 P15121 1/20 0.32
TNIK Q9UKE5 1/20 0.32
KMT2A Q03164 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL4748607 0.89 AKR1B1 (0.36) GRM2KCNH2AKR1B1KMT2A
SCHEMBL4750826 0.81 GRM2 (0.38) CLPPHTR2AGRM2KCNH2AKR1B1
SCHEMBL14033946 0.79 AKR1B1 (0.36) GRM2KCNH2AKR1B1KMT2A
SCHEMBL14033929 0.79 AKR1B1 (0.35) CLPPHTR2AGRM2AKR1B1TNIK
SCHEMBL4751130 0.79 ALDH1A1 (0.43) KMT2A
SCHEMBL4751240 0.79 GRM2 (0.39) CLPPHTR2AGRM2KCNH2AKR1B1
SCHEMBL4743177 0.79 TP53 (0.35) GRM2KCNH2AKR1B1KMT2A
SCHEMBL4743344 0.78 CLPP (0.39) CLPPHTR2AGRM2KCNH2AKR1B1
SCHEMBL4750467 0.77 GRM2 (0.39) CLPPHTR2AGRM2AKR1B1TNIK
SCHEMBL4749393 0.77 GRM2 (0.39) CLPPHTR2AGRM2TNIK

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 CLPP 2602/4885HTR2A 1944/4885GRM2 4487/4885

“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.