SCHEMBL869918

SCHEMBL869918

COC(=O)[C@H]1CC[C@H](Nc2ncc(F)cc2C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.42
IRAK4 Q9NWZ3 11/20 0.41
MERTK Q12866 1/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PARP1 P09874 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 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
SCHEMBL8177803 1.00 BTK (0.42) BTKIRAK4MERTKPDGFRBPDGFRA
SCHEMBL869919 1.00 BTK (0.42) BTKIRAK4MERTKPDGFRBPDGFRA
SCHEMBL3834165 0.91 BTK (0.43) BTKIRAK4MERTKPARP1PDE4A
SCHEMBL3834167 0.91 BTK (0.43) BTKIRAK4MERTKPARP1PDE4A
SCHEMBL870853 0.90 IRAK4 (0.44) BTKIRAK4MERTKPARP1PDE4A
SCHEMBL8177115 0.87 IRAK4 (0.41) BTKIRAK4MERTKPARP1PDE4A
SCHEMBL10271650 0.86 SSTR4 (0.48) BTKIRAK4MERTKPARP1
SCHEMBL13697674 0.84 IRAK4 (0.40) BTKIRAK4MERTKPARP1PDE4A
SCHEMBL871376 0.80 PDGFRB (0.46) BTKIRAK4PDGFRBPDGFRA
SCHEMBL871377 0.80 PDGFRB (0.46) BTKIRAK4PDGFRBPDGFRA

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 13 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

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 BTK 1387/4885IRAK4 362/4885MERTK 3865/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B BTK 1387/4885IRAK4 362/4885MERTK 3865/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A BTK 1669/4885IRAK4 467/4885MERTK 3382/4885

“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.