SCHEMBL870809

SCHEMBL870809

CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)c6cn7cc(F)ccc7n6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.50
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
TNF P01375 1/20 0.37
LITAF Q99732 1/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL870810 1.00 PDE4B (0.50) PDE4BTP53LMNAIDO1TDO2
SCHEMBL871331 0.94 PDE4B (0.44) PDE4BTP53LMNAIDO1TDO2
SCHEMBL870994 0.92 PDE4B (0.45) PDE4BTP53LMNATNFLITAF
SCHEMBL870995 0.92 PDE4B (0.45) PDE4BTP53LMNATNFLITAF
SCHEMBL3032431 0.91 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL3032429 0.91 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL10271507 0.90 PDE4B (0.48) PDE4BTP53LMNAPRKAA2KDM4E
SCHEMBL3022993 0.89 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL3022989 0.89 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL3017025 0.89 PDE4B (0.51) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10

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
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-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-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
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 PDE4B 2/4885TP53 4786/4885LMNA 3015/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885TP53 4786/4885LMNA 3015/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885TP53 4533/4885LMNA 2838/4885

“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.