SCHEMBL981541

SCHEMBL981541

COc1ccc(C2=NN(C(=O)CN3C=Cc4sncc4C3)CC2(C)C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.38
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL980473 0.84 MAOB (0.53) PDE4BMAOBKDM4EALDH1A1HPGD
SCHEMBL979918 0.83 PDE4B (0.44) PDE4BMAOBKDM4EALDH1A1
SCHEMBL981837 0.77 MAOB (0.44) PDE4BMAOBALDH1A1HPGD
SCHEMBL981647 0.73 MAOB (0.37) MAOBKDM4EALDH1A1HPGD
SCHEMBL981808 0.72 RAB9A (0.42) PDE4BMAOBALDH1A1HPGD
SCHEMBL981542 0.67 ALDH1A1 (0.41) PDE4BMAOBKDM4EALDH1A1HPGD
SCHEMBL14487242 0.67 KMT2A (0.52) PDE4BMAOBKDM4EALDH1A1
SCHEMBL14553652 0.67 HTT (0.45) PDE4BMAOBKDM4EALDH1A1
SCHEMBL27958547 0.66 MAPT (0.49) PDE4BMAOBALDH1A1HPGD
SCHEMBL14484348 0.66 MAOB (0.41) MAOBALDH1A1

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.