SCHEMBL4495080

SCHEMBL4495080

COc1ccc(CNc2ncc(C#N)c3sc(I)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
EGFR P00533 3/20 0.43
POLB P06746 1/20 0.43
NR2F2 P24468 1/20 0.43
VNN1 O95497 3/20 0.43
HTT P42858 2/20 0.43
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAP2K4 P45985 1/20 0.39
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL13606457 0.88 PDE5A (0.45) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL4498229 0.87 PDE5A (0.44) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL4497191 0.85 PDE5A (0.45) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL13606493 0.83 CTSL (0.44) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL13606496 0.82 CCNE2 (0.41) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL5775066 0.81 HTT (0.40) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL4503764 0.80 NPC1 (0.40) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL4509348 0.80 PDE5A (0.45) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL4503766 0.80 PDE5A (0.39) PDE5AMEN1KMT2ANPC1EGFR
SCHEMBL11888473 0.79 EGFR (0.47) PDE5AMEN1KMT2ANPC1EGFR

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-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
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO 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 4558/4885MEN1 4619/4885KMT2A 4609/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA PDE5A 4558/4885MEN1 4619/4885KMT2A 4609/4885

“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.