SCHEMBL4873751

SCHEMBL4873751

COC(=O)c1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
BTK Q06187 2/20 0.42
SYK P43405 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
ITK Q08881 2/20 0.40
SCN9A Q15858 1/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
BPTF Q12830 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PDE5A O76074 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4D Q6B0I6 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
SCHEMBL4873742 1.00 EPHX2 (0.47) EPHX2BTKSYKIRAK4ITK
SCHEMBL3695837 0.88 SYK (0.41) BTKSYKIRAK4ITK
SCHEMBL871576 0.88 SYK (0.41) BTKSYKIRAK4ITK
SCHEMBL8177429 0.85 SCN9A (0.42) SCN9ANTRK1
SCHEMBL8184235 0.79 NPC1 (0.57) EPHX2SCN9AMAPK1LMNATP53
SCHEMBL8188742 0.79 IRAK4 (0.39) BTKIRAK4NTRK1
SCHEMBL10272050 0.79 EGFR (0.49) EPHX2BTKSYKITKNTRK1
SCHEMBL870853 0.78 IRAK4 (0.44) BTKIRAK4
SCHEMBL4775826 0.77 PDE5A (0.53) MAPK1LMNATP53TSHRABCB1
SCHEMBL8177803 0.77 BTK (0.42) BTKIRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 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 (1 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A EPHX2 884/4885BTK 310/4885SYK 649/4885

“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.