SCHEMBL4747160

SCHEMBL4747160

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)cc(C(=O)C4CNCCO4)c32)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 3/20 0.37
SLC6A2 P23975 7/20 0.34
CHRM1 P11229 6/20 0.34
SLC6A4 P31645 3/20 0.33
BRD4 O60885 1/20 0.33
SLC6A9 P48067 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4746117 0.83 FSCN1 (0.42) FSCN1CHRM1CYP3A4CYP2C19
SCHEMBL4745430 0.82 FSCN1 (0.45) FSCN1BRD4
SCHEMBL4743539 0.82 FSCN1 (0.43) FSCN1CHRM1
SCHEMBL4746524 0.82 FSCN1 (0.41) FSCN1CHRM1SLC6A9KCNH2CYP3A4
SCHEMBL4746426 0.81 FSCN1 (0.39) FSCN1
SCHEMBL4747159 0.81 CYP3A4 (0.46) FSCN1CYP3A4CYP2C19
SCHEMBL4749249 0.81 FSCN1 (0.41) FSCN1CYP3A4CYP2C19
SCHEMBL4749751 0.81 FSCN1 (0.41) FSCN1CYP3A4CYP2C19
SCHEMBL4749338 0.81 KMT2A (0.43) FSCN1CYP3A4CYP2C19
SCHEMBL4746320 0.79 FSCN1 (0.40) FSCN1CHRM1

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 FSCN1 4879/4885SLC6A2 4293/4885CHRM1 1224/4885

“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.