Sugi Predict

Sugi Predict / Compounds / SCHEMBL4746418

SCHEMBL4746418

SCHEMBL4746418

CCN1CC(C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)cc(C)c32)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.36
▸ CNR1 P21554 8/20 0.36
▸ FAAH O00519 4/20 0.36
▸ ABHD12 Q8N2K0 2/20 0.36
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4747253 0.88 CNR2 (0.35) CNR2CNR1FAAHABHD12HTT
SCHEMBL1386743 0.82 PKM (0.39) CNR2CNR1HTTMAPTGRM2
SCHEMBL4747839 0.79 TP53 (0.34) CNR2CNR1FAAHABHD12HTT
SCHEMBL14051809 0.77 FSCN1 (0.38) GRM2ALDH1A1
SCHEMBL4748777 0.77 FSCN1 (0.41) GRM2BRD4
SCHEMBL5127105 0.77 FSCN1 (0.38) GRM2ALDH1A1
SCHEMBL14051992 0.77 FSCN1 (0.41) GRM2BRD4
SCHEMBL14680246 0.75 MAPT (0.33) CNR2CNR1MAPTPKM
SCHEMBL4747960 0.73 MAPT (0.35) CNR2CNR1FAAHABHD12MAPT
SCHEMBL4746817 0.73 AKR1B1 (0.39) HTTGRM2MEN1KMT2AALDH1A1

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 CNR2 3948/4885CNR1 2974/4885FAAH 4212/4885

“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.