SCHEMBL4745262

SCHEMBL4745262

CC1Cn2c3c(c(O)c2C(=O)N1CC1CC1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
HTR2A P28223 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TNIK Q9UKE5 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
CLPP Q16740 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
SCHEMBL4750826 0.91 GRM2 (0.38) GRM2HTR2APTGDR2TNIKCLPP
SCHEMBL4746618 0.90 GRM2 (0.35) GRM2
SCHEMBL4751240 0.87 GRM2 (0.39) GRM2HTR2APTGDR2TNIKCLPP
SCHEMBL4749393 0.86 GRM2 (0.39) GRM2HTR2APTGDR2TNIKCLPP
SCHEMBL4751078 0.80 GRM2 (0.36) GRM2
SCHEMBL4750467 0.78 GRM2 (0.39) GRM2HTR2ATNIKCLPP
SCHEMBL4743344 0.76 CLPP (0.39) GRM2HTR2ACLPP
SCHEMBL4744307 0.76 GRM2 (0.38) GRM2
SCHEMBL4754316 0.75 CLPP (0.33) GRM2HTR2ATNIKCLPP
SCHEMBL4743403 0.75 TP53 (0.37) GRM2

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 GRM2 4487/4885HTR2A 1944/4885HRH3 649/4885

“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.