SCHEMBL869588

SCHEMBL869588

CC(C)CCCC(C)Nc1ncc(F)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PTGER4 P35408 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 2/20 0.33
PPIA P62937 1/20 0.33
HCAR3 P49019 2/20 0.33
KDM4C Q9H3R0 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ASPH Q12797 2/20 0.32
KDM8 Q8N371 2/20 0.32
RIOX2 Q8IUF8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM6B O15054 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
SCHEMBL15635693 0.80 CHRNA7 (0.40) AGBL2PTGER4IRAK4JAK2HCAR3
SCHEMBL15636527 0.77 KDM4C (0.47) AGBL2PTGER4IRAK4JAK2HCAR3
SCHEMBL15639680 0.76 PTGER4 (0.38) AGBL2PTGER4IRAK4JAK2DHODH
SCHEMBL3582514 0.73 CHRNA7 (0.41) AGBL2PTGER4JAK2HCAR3KDM4C
SCHEMBL28629009 0.72 ALDH1A1 (0.36) RPS6KB1IRAK4HCAR3KDM4EALDH1A1
SCHEMBL3576168 0.72 JAK2 (0.43) AGBL2PTGER4JAK2HCAR3DHODH
SCHEMBL15636238 0.70 KDM4E (0.36) AGBL2PTGER4IRAK4JAK2KDM4C
SCHEMBL17363110 0.69 PTGER4 (0.39) AGBL2PTGER4IRAK4DHODHKDM4E
SCHEMBL12941915 0.69 HCAR3 (0.44) HCAR3KDM4CKDM4EASPHKDM8
SCHEMBL15639188 0.68 CHRNA7 (0.38) AGBL2PTGER4IRAK4DHODHKDM4E

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 14 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
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-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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP 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
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 AGBL2 2481/4885RPS6KB1 2045/4885PTGER4 34/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AGBL2 2481/4885RPS6KB1 2045/4885PTGER4 34/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AGBL2 2458/4885RPS6KB1 2684/4885PTGER4 40/4885

“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.