SCHEMBL4806397

SCHEMBL4806397

COCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
THRB P10828 2/20 0.37
MMP13 P45452 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
KLKB1 P03952 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
SCHEMBL4805779 0.93 THRB (0.41) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4798568 0.92 THRB (0.39) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4806883 0.90 MMP13 (0.42) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4804042 0.89 FSCN1 (0.37) MEN1KMT2A
SCHEMBL4800004 0.89 MEN1 (0.40) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4805963 0.88 MMP13 (0.41) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4799868 0.84 EGFR (0.37) PPARDMAPTPOLB
SCHEMBL4810125 0.83 THRB (0.40) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4805646 0.83 THRB (0.41) PPARDPDE4APDE4BPDE4CPDE4D
SCHEMBL4804800 0.82 THRB (0.42) PPARDPDE4APDE4BPDE4CPDE4D

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 6 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
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US 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
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP PPARD 3557/4885PDE4A 2089/4885PDE4B 2323/4885

“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.