SCHEMBL979919

SCHEMBL979919

COc1ccc(C2=NN(C(=O)Cc3ccc4nsnc4c3)C(C)(C)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.46
PDE4B Q07343 4/20 0.45
KDM4E B2RXH2 2/20 0.42
MAOB P27338 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ORAI1 Q96D31 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL980474 0.82 MAOB (0.58) SMN1; SMN2HTTPDE4BKDM4EMAOB
SCHEMBL981542 0.81 ALDH1A1 (0.41) SMN1; SMN2HTTPDE4BKDM4EMAOB
SCHEMBL14487686 0.80 PDE4B (0.51) SMN1; SMN2HTTPDE4BKDM4EMAOB
SCHEMBL14553704 0.76 PDE4B (0.52) SMN1; SMN2HTTPDE4BMAOBLMNA
SCHEMBL981838 0.74 MAOB (0.47) SMN1; SMN2HTTPDE4BKDM4EMAOB
SCHEMBL14553572 0.73 KMT2A (0.57) HTTPDE4BMAOBMAPK1NPSR1
SCHEMBL15086836 0.72 PDE4B (0.49) HTTPDE4BMAOBLMNAMEN1
SCHEMBL14487421 0.72 PDE4B (0.49) SMN1; SMN2HTTPDE4BMAOBALDH1A1
SCHEMBL15905610 0.71 PDE4B (0.53) HTTPDE4BMAOBALDH1A1MAPK1
SCHEMBL14553616 0.71 KMT2A (0.58) SMN1; SMN2HTTPDE4BKDM4EMAOB

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 11 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
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-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
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
EP-1917248-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 EP disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 WO 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 SMN1; SMN2 4245/4885HTT 3262/4885PDE4B 2615/4885

“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.