SCHEMBL4750176

SCHEMBL4750176

CN1CC(C(=O)C2CNCCO2)c2c(c(O)c3n2CCN(Cc2ccc(F)cc2)C3=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH1 P35367 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CLPP Q16740 1/20 0.32
TP53 P04637 1/20 0.32
DRD4 P21917 4/20 0.32
GRM2 Q14416 1/20 0.32
SSTR4 P31391 1/20 0.32
CTSC P53634 1/20 0.31
HTT P42858 1/20 0.31
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5124483 0.83 SLC6A2 (0.35) KCNH2DRD4GRM2
SCHEMBL4750169 0.80 TP53 (0.36) KCNH2HRH1MEN1KMT2AALDH1A1
SCHEMBL5112048 0.80 MEN1 (0.41) KCNH2MEN1KMT2AAKR1B1POLB
SCHEMBL4752558 0.80 KCNH2 (0.36) KCNH2HRH1MEN1KMT2AAKR1B1
SCHEMBL4747822 0.79 TP53 (0.39) KCNH2HRH1MEN1KMT2AALDH1A1
SCHEMBL4748968 0.76 TP53 (0.40) KCNH2MEN1KMT2AAKR1B1POLB
SCHEMBL4747651 0.74 LMNA (0.40) KCNH2MEN1KMT2AAKR1B1POLB
SCHEMBL4747039 0.70 MEN1 (0.38) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL14033586 0.70 HTT (0.35) KCNH2HRH1KMT2APOLBALDH1A1
SCHEMBL4745898 0.69 KCNH2 (0.43) KCNH2MEN1KMT2AAKR1B1POLB

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 7 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-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 KCNH2 1318/4885HRH1 377/4885MEN1 4539/4885

“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.