SCHEMBL4748890

SCHEMBL4748890

CN1CCn2c(Br)c(C(=O)NCc3ccc(F)c(Cl)c3)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.41
PTGER4 P35408 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LIPG Q9Y5X9 2/20 0.37
MAOB P27338 1/20 0.36
SCD O00767 1/20 0.36
PDE5A O76074 2/20 0.36
ALK Q9UM73 1/20 0.36
FSCN1 Q16658 1/20 0.36

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
SCHEMBL3984185 0.82 LMNA (0.40) LIPG
SCHEMBL4749064 0.82 MAPK1 (0.41) S1PR3PTGER4LIPGPDE5AALK
SCHEMBL5139036 0.81 SLC6A9 (0.34) SCD
SCHEMBL3987589 0.74 SMN1; SMN2 (0.41)
SCHEMBL3984184 0.73 KMT2A (0.38)
SCHEMBL3986674 0.73 KMT2A (0.37) DRD2DRD3
SCHEMBL3985345 0.73 SCD (0.37) PTGER4SCDFSCN1
SCHEMBL4744605 0.73 LMNA (0.45) SCD
SCHEMBL3987007 0.72 SCD (0.38) PTGER4SCDFSCN1
SCHEMBL16185301 0.71 SCD (0.39) PTGER4SCDFSCN1

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 5 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 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
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO 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 S1PR3 2119/4885PTGER4 2459/4885DRD2 1101/4885

“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.