SCHEMBL3314367

SCHEMBL3314367

COc1cc(C2CCCCN2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.43
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
BACE1 P56817 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 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
SCHEMBL1784746 0.81 ALK (0.44) PDE4BPIK3CDABL1EGFRKDR
SCHEMBL28233608 0.80 NR3C2 (0.39) AAK1NPC1RAB9AMEN1KMT2A
SCHEMBL28233607 0.80 NR3C2 (0.39) AAK1NPC1RAB9AMEN1KMT2A
SCHEMBL3312570 0.77 MAPT (0.49) PDE4BMEN1KMT2A
SCHEMBL5929041 0.76 MEN1 (0.42) PDE4BPDE4APDE4CPDE4DRAB9A
SCHEMBL1781447 0.75 QDPR (0.56) PDE4BPDE4APDE4CPDE4DABL1
SCHEMBL5796905 0.75 ALDH1A1 (0.51) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL15457550 0.74 EPHX1 (0.57) NPC1RAB9APIK3CDABL1EGFR
Hydrochloric Acid SCHEMBL5796581 0.74 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6801468 0.74 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PDE4B 305/4885TAS1R3 1914/4885TAS1R1 1017/4885

“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.