SCHEMBL4749249

SCHEMBL4749249

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)cc(C(=O)N4CCCC4)c32)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 3/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PREP P48147 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 3/20 0.34
PIK3CA P42336 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
P2RX7 Q99572 1/20 0.33
GAA P10253 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
SCHEMBL4749751 0.98 FSCN1 (0.41) FSCN1CYP3A4CYP2C19PREPHPGD
SCHEMBL4749338 0.94 KMT2A (0.43) FSCN1CYP3A4CYP2C19KMT2ASMN1; SMN2
SCHEMBL4747159 0.94 CYP3A4 (0.46) FSCN1CYP3A4CYP2C19KMT2ASMN1; SMN2
SCHEMBL4746117 0.89 FSCN1 (0.42) FSCN1CYP3A4CYP2C19PIK3CAP2RX7
SCHEMBL4745430 0.88 FSCN1 (0.45) FSCN1PIK3CA
SCHEMBL4743539 0.88 FSCN1 (0.43) FSCN1SMN1; SMN2P2RX7
SCHEMBL4746524 0.88 FSCN1 (0.41) FSCN1CYP3A4CYP2C19PIK3CAALDH1A1
SCHEMBL4746426 0.85 FSCN1 (0.39) FSCN1P2RX7
SCHEMBL4746320 0.85 FSCN1 (0.40) FSCN1PIK3CAP2RX7
SCHEMBL4750280 0.85 FSCN1 (0.39) FSCN1CYP3A4CYP2C19PIK3CAP2RX7

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 FSCN1 4879/4885CYP3A4 496/4885CYP2C19 903/4885

“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.