SCHEMBL4804980

SCHEMBL4804980

COCc1c(C(=O)NOC)ncc2c1ccn2Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.43
GRIN2B Q13224 1/20 0.39
MET P08581 1/20 0.39
PDE10A Q9Y233 1/20 0.37
FSCN1 Q16658 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR6 P46095 1/20 0.36
KLKB1 P03952 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
SCHEMBL2946969 0.92 PPARG (0.44) PPARGGRIN2BPDE10AFSCN1MEN1
SCHEMBL4806797 0.90 PPARG (0.43) PPARGGRIN2BPDE10A
SCHEMBL4800776 0.89 PPARG (0.42) PPARG
SCHEMBL6220698 0.79 PPARG (0.39) PPARGGRIN2BMEN1KMT2A
SCHEMBL2952988 0.79 PPARG (0.45) PPARGPDE10AFSCN1
SCHEMBL1684119 0.78 PPARG (0.51) PPARGGRIN2BMET
SCHEMBL2950141 0.77 PPARG (0.45) PPARGFSCN1
SCHEMBL4904705 0.75 MET (0.41) PPARGMETPDE10AFSCN1MEN1
SCHEMBL2946889 0.74 FSCN1 (0.42) PPARGMETPDE10AFSCN1MEN1
SCHEMBL4804260 0.73 EGLN1 (0.47)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP PPARG 4290/4885GRIN2B 3929/4885MET 4334/4885

“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.