SCHEMBL144533

SCHEMBL144533

COc1ccc2sc(C)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.65
CA2 P00918 1/20 0.56
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
CLK1 P49759 11/20 0.51
DYRK1A Q13627 4/20 0.51
DYRK1B Q9Y463 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMB8 P28062 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
AXL P30530 1/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PDK1 Q15118 1/20 0.42

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
SCHEMBL144455 0.84 CA2 (0.56) BACE1CA2PDE3BPDE3ACYP1A2
SCHEMBL4580171 0.82 BACE1 (0.67) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL13791095 0.80 BACE1 (0.44) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL14606240 0.79 ALDH1A1 (0.47) BACE1CA2CLK1CYP1A2KDM4E
SCHEMBL2175746 0.78 BACE1 (1.00) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL5546367 0.78 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL16023592 0.78 BACE1 (0.62) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL22420307 0.76 BACE1 (0.40) BACE1CA2CLK1DYRK1ADYRK1B
SCHEMBL762071 0.76 BACE1 (0.59) BACE1CA2PDE3BPDE3ACLK1
SCHEMBL13032389 0.75 BACE1 (0.42) BACE1CA2PDE3BPDE3AKDM4E

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346569-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS UNIV LEUVEN KATH (BE) 2025-11-13 US disclosed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
CN-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 CN disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1517977-A1 PHOTOCHROMIC LIQUID CRYSTALS Qinetiq Limited (GB) 2005-03-30 EP disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 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 (3 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 BACE1 2905/4885CA2 309/4885PDE3B 1936/4885
US-20250346569-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS TRPM4, TRPM2, TRPM6 BACE1 1377/4885CA2 441/4885PDE3B 1506/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 BACE1 2905/4885CA2 309/4885PDE3B 1936/4885

“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.