SCHEMBL18878177

SCHEMBL18878177

CNc1ncnc2ccsc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
PIP4K2C Q8TBX8 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
AXL P30530 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HTT P42858 1/20 0.51
EGFR P00533 2/20 0.51
FADS1 O60427 1/20 0.51
FLT1 P17948 1/20 0.47
TYK2 P29597 1/20 0.46
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
AURKB Q96GD4 4/20 0.44
AURKA O14965 2/20 0.44

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
SCHEMBL22593285 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2878014 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27409928 0.80 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567313 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL5642444 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5455935 0.76 EGFR (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5369046 0.75 EGFR (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5368863 0.74 S1PR2 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24466943 0.74 PIP4K2C (0.62) PDE4APDE4BPDE4CPDE4DPDE3B

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-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 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-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885

“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.