SCHEMBL979917

SCHEMBL979917

COc1ccc(C2=NN(C(=O)CC3=CC4=CNSN4C=C3)C(C)(C)C2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.41
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
PDE4D Q08499 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
SCHEMBL980472 0.84 MAOB (0.53) PDE4BMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL981836 0.77 MAOB (0.43) PDE4BMAOBSMN1; SMN2ALDH1A1GAA
SCHEMBL981645 0.72 MAOB (0.35) MAOBSMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL979919 0.70 SMN1; SMN2 (0.48) PDE4BMAOBSMN1; SMN2HTTKDM4E
SCHEMBL14487686 0.70 PDE4B (0.51) PDE4BMAOBSMN1; SMN2HTTKDM4E
SCHEMBL979918 0.67 PDE4B (0.44) PDE4BMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL979450 0.67 PGR (0.38) MAOBSMN1; SMN2ALDH1A1HPGDPKM
SCHEMBL14553572 0.66 KMT2A (0.57) PDE4BMAOBHTTPDE4D
SCHEMBL980162 0.66 JAK2 (0.36) SMN1; SMN2ALDH1A1HPGD
SCHEMBL14487421 0.66 PDE4B (0.49) PDE4BMAOBSMN1; SMN2HTTALDH1A1

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 PDE4B 2615/4885MAOB 1138/4885SMN1; SMN2 4245/4885

“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.