SCHEMBL979918

SCHEMBL979918

COc1ccc(C2=NN(C(=O)CN3C=Cc4sncc4C3)C(C)(C)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.35
MIF P14174 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 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
SCHEMBL981541 0.83 PDE4B (0.38) PDE4BMAOBKDM4EALDH1A1
SCHEMBL980473 0.83 MAOB (0.53) PDE4BMAOBKDM4EALDH1A1PKM
SCHEMBL981837 0.76 MAOB (0.44) PDE4BMAOBALDH1A1PDE4APDE4C
SCHEMBL981647 0.72 MAOB (0.37) MAOBKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL981808 0.71 RAB9A (0.42) PDE4BMAOBALDH1A1PDE4APDE4C
SCHEMBL979919 0.68 SMN1; SMN2 (0.48) PDE4BMAOBKDM4EALDH1A1KMT2A
SCHEMBL14553572 0.67 KMT2A (0.57) PDE4BMAOBPDE4APDE4CPDE4D
SCHEMBL14487686 0.67 PDE4B (0.51) PDE4BMAOBKDM4EPDE4APDE4C
SCHEMBL979917 0.67 PDE4B (0.41) PDE4BMAOBKDM4EALDH1A1PKM
SCHEMBL15086836 0.67 PDE4B (0.49) PDE4BMAOBPDE4APDE4CPDE4D

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 3 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
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 PDE4B 2615/4885MAOB 1138/4885KDM4E 1005/4885

“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.