SCHEMBL4745430

SCHEMBL4745430

CNC(=O)c1cn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 6/20 0.45
BRD4 O60885 10/20 0.39
TRIM24 O15164 1/20 0.35
BRD1 O95696 1/20 0.35
CCL2 P13500 1/20 0.35
TAF1 P21675 1/20 0.35
BRD2 P25440 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
BRPF1 P55201 1/20 0.35
EP300 Q09472 1/20 0.35
BPTF Q12830 1/20 0.35
CACNA1C Q13936 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
PBRM1 Q86U86 1/20 0.35
TAF1L Q8IZX4 1/20 0.35
CREBBP Q92793 1/20 0.35
KAT2A Q92830 1/20 0.35

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
SCHEMBL4743539 0.90 FSCN1 (0.43) FSCN1
SCHEMBL4746117 0.90 FSCN1 (0.42) FSCN1PIK3CA
SCHEMBL4746524 0.88 FSCN1 (0.41) FSCN1PIK3CA
SCHEMBL4749249 0.88 FSCN1 (0.41) FSCN1PIK3CA
SCHEMBL4749751 0.88 FSCN1 (0.41) FSCN1PIK3CA
SCHEMBL4749338 0.87 KMT2A (0.43) FSCN1PIK3CA
SCHEMBL4747159 0.86 CYP3A4 (0.46) FSCN1CECR2PIK3CA
SCHEMBL4746426 0.86 FSCN1 (0.39) FSCN1
SCHEMBL4746320 0.85 FSCN1 (0.40) FSCN1PIK3CA
SCHEMBL4750280 0.85 FSCN1 (0.39) FSCN1PIK3CA

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 4879/4885BRD4 694/4885TRIM24 1996/4885

“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.