SCHEMBL871576

SCHEMBL871576

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
ITK Q08881 2/20 0.39
BTK Q06187 3/20 0.39
EGFR P00533 1/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL3695837 1.00 SYK (0.41) SYKIRAK4ITKBTKEGFR
SCHEMBL4873742 0.88 EPHX2 (0.47) SYKIRAK4ITKBTK
SCHEMBL4873751 0.88 EPHX2 (0.47) SYKIRAK4ITKBTK
SCHEMBL3022482 0.86 EGFR (0.44) SYKITKBTKEGFRJAK2
SCHEMBL3022489 0.86 EGFR (0.44) SYKITKBTKEGFRJAK2
SCHEMBL8179750 0.85 SMYD3 (0.42) IRAK4ITKBTKEGFRJAK2
SCHEMBL3833325 0.84 EGFR (0.40) SYKITKBTKEGFRJAK2
SCHEMBL13551555 0.84 ITK (0.42) SYKIRAK4ITKBTKEGFR
SCHEMBL871040 0.83 EGFR (0.39) SYKIRAK4ITKBTKEGFR
SCHEMBL871041 0.83 EGFR (0.39) SYKIRAK4ITKBTKEGFR

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 8 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
CN-101636388-A Compound 637: pyridopyrimidinediones as PDE4 inhibitors ASTRAZENECA AB 2010-01-27 CN disclosed
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO 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
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 SYK 1568/4885IRAK4 362/4885ITK 3736/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B SYK 1568/4885IRAK4 362/4885ITK 3736/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A SYK 2553/4885IRAK4 467/4885ITK 3314/4885

“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.