SCHEMBL871041

SCHEMBL871041

CC(C)(C)N(C(=O)O)C1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAP4K4 O95819 1/20 0.36
ITK Q08881 2/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CRHR1 P34998 2/20 0.35
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
HPGD P15428 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 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
SCHEMBL871040 1.00 EGFR (0.39) EGFRBTKPIM1PIM2MAP4K4
SCHEMBL3022482 0.86 EGFR (0.44) EGFRBTKPIM1PIM2MAP4K4
SCHEMBL3022489 0.86 EGFR (0.44) EGFRBTKPIM1PIM2MAP4K4
SCHEMBL3833325 0.84 EGFR (0.40) EGFRBTKPIM1PIM2MAP4K4
SCHEMBL871576 0.83 SYK (0.41) EGFRBTKPIM1PIM2ITK
SCHEMBL3695837 0.83 SYK (0.41) EGFRBTKPIM1PIM2ITK
SCHEMBL8179750 0.83 SMYD3 (0.42) EGFRBTKPIM1PIM2MAP4K4
SCHEMBL872030 0.82 CHRNA7 (0.39) JAK2
SCHEMBL872028 0.82 CHRNA7 (0.39) JAK2
SCHEMBL872029 0.82 CHRNA7 (0.39) JAK2

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B EGFR 4713/4885BTK 1387/4885PIM1 3207/4885

“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.