SCHEMBL870960

SCHEMBL870960

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C(=O)O)C(Cc6ccccc6)C5)cc4Br)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
NPY5R Q15761 4/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
AKT1 P31749 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
LMNA P02545 1/20 0.32
NSD2 O96028 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
DDR1 Q08345 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL870962 1.00 TP53 (0.34) TP53NPY5RALOX5APFEN1KMT2A
SCHEMBL870961 0.87 TP53 (0.38) TP53ALOX5APFEN1KMT2AL3MBTL1
SCHEMBL869881 0.86 PDE4B (0.41)
SCHEMBL869879 0.86 PDE4B (0.41)
SCHEMBL871936 0.83 PDE4B (0.40)
SCHEMBL8177708 0.81 PIK3CA (0.35) ALOX5APFEN1KMT2AL3MBTL1CKS1B
SCHEMBL8168457 0.80 CKS1B (0.42) ALOX5APFEN1KMT2AL3MBTL1CKS1B
SCHEMBL870811 0.80 CKS1B (0.42) ALOX5APFEN1KMT2AL3MBTL1CKS1B
SCHEMBL10221633 0.80 CKS1B (0.42) ALOX5APFEN1KMT2AL3MBTL1CKS1B
SCHEMBL8193271 0.79 PARP1 (0.38) TP53KMT2AL3MBTL1PARP1PARP2

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
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TP53 4786/4885NPY5R 1526/4885ALOX5AP 2365/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TP53 4786/4885NPY5R 1526/4885ALOX5AP 2365/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A TP53 4533/4885NPY5R 1689/4885ALOX5AP 2284/4885

“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.