SCHEMBL4509348

SCHEMBL4509348

COc1ccc(CNc2ncc(C#N)c3sc(-n4ccnc4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.45
TBXAS1 P24557 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS2 P35228 1/20 0.40
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
CTSL P07711 4/20 0.37

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
SCHEMBL13606496 0.83 CCNE2 (0.41) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL13606457 0.81 PDE5A (0.45) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL4495080 0.80 PDE5A (0.44) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL4498229 0.80 PDE5A (0.44) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL4497191 0.78 PDE5A (0.45) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL14543523 0.77 CHEK1 (0.41) PDE3BPDE3A
SCHEMBL13606493 0.76 CTSL (0.44) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL5775066 0.76 HTT (0.40) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL4503764 0.73 NPC1 (0.40) PDE5AMEN1KMT2AEGFRPOLB
SCHEMBL4503766 0.73 PDE5A (0.39) PDE5AMEN1KMT2AEGFRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA PDE5A 4558/4885TBXAS1 740/4885PDE3B 4031/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA PDE5A 4558/4885TBXAS1 740/4885PDE3B 4031/4885

“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.