SCHEMBL4142968

SCHEMBL4142968

Cc1c(-c2ccncc2)n(CC(O)C(F)(F)F)c2ccc3[nH]c(=O)ccc3c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.37
PDE3A Q14432 6/20 0.37
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
AR P10275 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL4134002 0.85 AR (0.51) TLR9TLR8TLR7ARNOS3
SCHEMBL4133996 0.85 AR (0.51) TLR9TLR8TLR7ARNOS3
SCHEMBL4138811 0.85 AR (0.51) TLR9TLR8TLR7ARNOS3
SCHEMBL4139112 0.85 AR (0.33) PDE3BPDE3ATLR9TLR8TLR7
SCHEMBL4134427 0.76 AR (0.53) AR
SCHEMBL4134431 0.76 AR (0.53) AR
SCHEMBL9885147 0.76 AR (0.53) AR
SCHEMBL4143030 0.75 AR (0.48) ARNOS2
SCHEMBL4143035 0.75 AR (0.48) ARNOS2
SCHEMBL4149567 0.71 AR (0.50) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 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 (2 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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PDE3B 710/4885PDE3A 611/4885TLR9 3988/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PDE3B 710/4885PDE3A 611/4885TLR9 3988/4885

“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.