SCHEMBL2175746

SCHEMBL2175746

COc1ccc2sc(N)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 1.00
CA2 P00918 2/20 0.58
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
CLK1 P49759 8/20 0.50
DYRK1A Q13627 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
DYRK1B Q9Y463 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2A6 P11509 1/20 0.45
NCF1 P14598 1/20 0.44
APP P05067 1/20 0.43
PSMB8 P28062 1/20 0.42
CLK2 P49760 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 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
SCHEMBL1107212 0.85 BACE1 (0.73) BACE1CA2PDE3BPDE3ACYP1A2
SCHEMBL4580171 0.80 BACE1 (0.67) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL144533 0.78 BACE1 (0.65) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL16023592 0.77 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL5546367 0.77 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL6839989 0.77 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL224122 0.77 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL224116 0.76 BACE1 (0.61) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL762071 0.74 BACE1 (0.59) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL7340422 0.74 CLK1 (0.67) BACE1CA2CLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295101-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-09-21 US disclosed
US-11560360-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-01-24 US disclosed
US-20200407333-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-12-31 US disclosed
US-10745366-B2 Therapeutic compounds ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-08-18 US disclosed
US-20190185441-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-06-20 US disclosed
WO-2018039487-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-01 WO disclosed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO 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 (6 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-20200407333-A1 THERAPEUTIC COMPOUNDS CFTR, MC2R, RPS21 BACE1 671/4885CA2 2546/4885PDE3B 382/4885
US-11560360-B2 Therapeutic compounds CFTR, MC2R, RPS21 BACE1 671/4885CA2 2546/4885PDE3B 382/4885
US-20230295101-A1 THERAPEUTIC COMPOUNDS CFTR, C1R, FURIN BACE1 92/4885CA2 1359/4885PDE3B 988/4885
US-20190185441-A1 THERAPEUTIC COMPOUNDS CFTR, C1R, FURIN BACE1 92/4885CA2 1359/4885PDE3B 988/4885
US-10745366-B2 Therapeutic compounds CFTR, C1R, FURIN BACE1 92/4885CA2 1359/4885PDE3B 988/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 BACE1 567/4885CA2 1616/4885PDE3B 1515/4885

“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.