SCHEMBL20529152

SCHEMBL20529152

COc1cc(C2=NNCC(C)(C)C2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.51
KDM1A O60341 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PAX8 Q06710 1/20 0.37
BUB1 O43683 1/20 0.36
GRK6 P43250 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MAOA P21397 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL21821502 0.84 PDE4B (0.51) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL30808302 0.84 PDE4B (0.51) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL20529210 0.79 PDE4B (0.55) PDE4BKDM1APDE3BPDE3APDE4A
SCHEMBL14484314 0.70 PDE4B (0.60) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL20529059 0.68 MAOA (0.44) PDE4BKDM1APDE3BPDE3APDE4A
SCHEMBL17335722 0.67 KDM1A (0.46) KDM1APDE4APAX8GRK6PDGFRB
SCHEMBL16951792 0.67 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPAX8
SCHEMBL2848137 0.66 PDE3A (0.46) PDE4BKDM1APDE3BPDE3APDE4A
SCHEMBL16951796 0.65 PDE4B (0.43) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL25577619 0.65 PAX8 (0.50) KDM1APAX8PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 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 (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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 PDE4B 3722/4885KDM1A 1470/4885PDE3B 3028/4885

“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.