SCHEMBL4855939

SCHEMBL4855939

COc1cc(Cl)ccc1Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.50
PDE4D Q08499 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
KDM4C Q9H3R0 1/20 0.47
SLC6A3 Q01959 1/20 0.46
CYP17A1 P05093 1/20 0.46
PLK1 P53350 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.43
KCNMA1 Q12791 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PDE10A Q9Y233 1/20 0.42
S1PR1 P21453 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4849790 0.83 MEN1 (0.53) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL11313806 0.82 MAPT (0.59) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL4847902 0.82 PKM (0.51) SLC6A2SLC6A4KDM4CSLC6A3MAPK1
SCHEMBL9265704 0.76 LTA4H (0.51) CYP17A1GAAMAPTTSHRHTT
SCHEMBL8151401 0.73 TRPV4 (0.52) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL2152147 0.73 TTR (0.47) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL4857891 0.73 ALDH1A1 (0.43) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL7666763 0.72 TRPV4 (0.50) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL4422704 0.72 TRPV4 (0.46) SLC6A2SLC6A4KDM4CSLC6A3PTGES2
SCHEMBL1679612 0.72 PDCD1 (0.50) PDE4BPDE4DSLC6A2SLC6A4KDM4C

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
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 PDE4B 890/4885PDE4D 1290/4885SLC6A2 4748/4885

“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.