SCHEMBL4809409

SCHEMBL4809409

Cc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3c(C(F)(F)F)nc4cccnc43)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PDE4B Q07343 3/20 0.35
PTGS1 P23219 2/20 0.35
PDE4D Q08499 1/20 0.35
AKT1 P31749 3/20 0.34
PDE10A Q9Y233 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
AKT2 P31751 2/20 0.32
AKT3 Q9Y243 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
SCHEMBL4810228 0.88 MEN1 (0.47) PDE4BPDE4DAKT1PDE10AMEN1
SCHEMBL4812599 0.87 PTGS2 (0.39) PTGS2PDE4BPTGS1PDE4DAKT1
SCHEMBL4869201 0.87 PDE4B (0.35) PTGS2PDE4BPTGS1PDE4DAKT1
SCHEMBL4869229 0.86 PDE10A (0.45) PDE4BAKT1PDE10AMEN1KMT2A
SCHEMBL4869914 0.86 PDE4B (0.35) PDE4BPTGS1AKT1PDE10AMEN1
SCHEMBL4876583 0.86 AKT1 (0.36) PTGS2PDE4BPTGS1PDE4DAKT1
SCHEMBL4873094 0.85 PDE4B (0.37) PTGS2PDE4BPTGS1PDE4DAKT1
SCHEMBL4855612 0.84 MEN1 (0.39) PDE4BPTGS1AKT1PDE10AMEN1
SCHEMBL4810556 0.80 PTGS1 (0.37) PTGS2PTGS1PDE10A
SCHEMBL4869806 0.79 TLR7 (0.39) PTGS2PDE4BPTGS1PDE4DPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 PTGS2 854/4885PDE4B 12/4885PTGS1 527/4885

“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.