SCHEMBL4746413

SCHEMBL4746413

CC(C)C1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c3n(c21)CCN(C)C3=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GRM2 Q14416 2/20 0.35
KCNH2 Q12809 1/20 0.34
TACR1 P25103 2/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4748968 0.88 TP53 (0.40) CYP2D6HRH3TP53HTTALDH1A1
SCHEMBL4747039 0.83 MEN1 (0.38) TP53HTTALDH1A1TMEM97SIGMAR1
SCHEMBL14033586 0.83 HTT (0.35) CYP2D6TP53HTTALDH1A1POLB
SCHEMBL5114547 0.81 MCHR1 (0.35) TP53HTTALDH1A1
SCHEMBL4744312 0.78 KCNH2 (0.41) HTTALDH1A1POLBGRM2KCNH2
SCHEMBL4747651 0.74 LMNA (0.40) CYP2D6HRH3TP53HTTALDH1A1
SCHEMBL4752558 0.73 KCNH2 (0.36) CYP2D6HRH3TP53HTTGRM2
SCHEMBL5112048 0.73 MEN1 (0.41) CYP2D6HRH3TP53HTTALDH1A1
SCHEMBL14034169 0.73 GRM2 (0.35) GRM2KCNH2RAB9A
SCHEMBL4747822 0.72 TP53 (0.39) CYP2D6TP53HTTALDH1A1GRM2

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
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-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

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 CYP2D6 420/4885HRH3 649/4885TP53 645/4885

“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.