SCHEMBL981405

SCHEMBL981405

CCN(CC)CCCNC(=O)Nc1cccc(CC(=O)N2CCC(c3ccc(OC)c(OC)c3)=N2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.53
PDE4B Q07343 2/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
MAOB P27338 1/20 0.46
QPCT Q16769 3/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
RAD52 P43351 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL12922903 0.92 MAOB (0.48) METPDE4BPDE4APDE4CPDE4D
SCHEMBL979041 0.89 MET (0.67) METPDE4BPDE4APDE4CPDE4D
SCHEMBL979083 0.83 MAOB (0.50) METPDE4BPDE4APDE4CPDE4D
SCHEMBL12922902 0.80 MET (0.57) METPDE4BPDE4APDE4CPDE4D
SCHEMBL980757 0.76 MAOB (0.61) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL980754 0.76 MAOB (0.61) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL979373 0.76 MAOB (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL14484340 0.76 MAOB (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL980779 0.76 MAOB (0.60) METPDE4BPDE4APDE4CPDE4D
SCHEMBL15086819 0.76 MAOB (0.60) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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 (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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MET 1/4885PDE4B 2615/4885PDE4A 2813/4885

“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.