SCHEMBL762071

SCHEMBL762071

COc1ccc2sc(OBOc3cc4cc(OC)ccc4s3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.59
CA2 P00918 1/20 0.51
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
CLK1 P49759 13/20 0.48
DYRK1A Q13627 5/20 0.48
DYRK1B Q9Y463 1/20 0.48
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
CLK2 P49760 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PSMB8 P28062 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4580171 0.85 BACE1 (0.67) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL144533 0.76 BACE1 (0.65) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL1403727 0.74 CYP1A2 (0.60) CA2CYP1A2CYP2A6CYP3A4
SCHEMBL2175746 0.74 BACE1 (1.00) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL5546367 0.74 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL16023592 0.74 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL760770 0.74 EGFR (0.37) CLK1DYRK1ADYRK1BCYP3A4
SCHEMBL1763599 0.71 AGXT (0.44) CA2CYP2A6
SCHEMBL12778904 0.70 BACE1 (0.57) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL6839989 0.70 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 BACE1 687/4885CA2 3954/4885PDE3B 295/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 BACE1 687/4885CA2 3954/4885PDE3B 295/4885

“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.