SCHEMBL871376

SCHEMBL871376

COC(=O)[C@H]1CC[C@H](Nc2ncc(F)cc2C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
BTK Q06187 1/20 0.41
OPRK1 P41145 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
KDM4E B2RXH2 2/20 0.36
DHODH Q02127 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
HCAR3 P49019 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK2 O60674 3/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL871377 1.00 PDGFRB (0.46) PDGFRBPDGFRABTKOPRK1ROCK2
SCHEMBL871750 0.83 JAK2 (0.46) OPRK1HCAR3JAK2
SCHEMBL15635529 0.83 JAK2 (0.46) OPRK1HCAR3JAK2
SCHEMBL17110968 0.81 MAPK8 (0.43) IRAK4HCAR3JAK2
SCHEMBL869919 0.80 BTK (0.42) PDGFRBPDGFRABTKIRAK4
SCHEMBL8177803 0.80 BTK (0.42) PDGFRBPDGFRABTKIRAK4
SCHEMBL869918 0.80 BTK (0.42) PDGFRBPDGFRABTKIRAK4
SCHEMBL870326 0.80 SSTR4 (0.46) BTKOPRK1CDK2JAK2
SCHEMBL4100544 0.80 HCAR3 (0.38) OPRK1IRAK4HCAR3JAK2
SCHEMBL3837577 0.77 JAK2 (0.43) OPRK1DHODHHCAR3JAK2

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 15 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
CN-102532135-A Chemical compounds 637: pyridopyrimidinediones as pde4 inhibitors ASTRAZENECA AB 2012-07-04 CN 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 PDGFRB 521/4885PDGFRA 640/4885BTK 1387/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDGFRB 521/4885PDGFRA 640/4885BTK 1387/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDGFRB 356/4885PDGFRA 393/4885BTK 1669/4885

“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.