SCHEMBL981037

SCHEMBL981037

O=C(Cc1ccc2nsnc2c1)N1CCC(c2ccc(Cl)o2)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.34
MET P08581 1/20 0.34
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 7/20 0.33
MAPT P10636 5/20 0.33
THRB P10828 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
PPARG P37231 2/20 0.32
NCOA2 Q15596 2/20 0.32
NCOA1 Q15788 2/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL980254 0.82 PGR (0.46) ECE2METKDM4EALDH1A1MAPT
SCHEMBL982252 0.80 ALDH1A1 (0.43) ECE2METKDM4EALDH1A1MAPT
SCHEMBL984420 0.80 HCRTR1 (0.45) ECE2KDM4EALDH1A1MAPTRAB9A
SCHEMBL982372 0.80 MET (0.50) ECE2METKDM4EALDH1A1MAPT
SCHEMBL979452 0.80 PGR (0.41) METKDM4EALDH1A1MAPTRAB9A
SCHEMBL980719 0.79 ALDH1A1 (0.42) ECE2KDM4EALDH1A1MAPTTHRB
SCHEMBL981003 0.79 MET (0.42) ECE2METKDM4EALDH1A1MAPT
SCHEMBL979329 0.78 ALDH1A1 (0.37) ECE2KDM4EALDH1A1MAPTTHRB
SCHEMBL979417 0.78 MAOB (0.43) ECE2ALDH1A1MAPTRAB9ALMNA
SCHEMBL981273 0.78 PGR (0.42) ECE2KDM4EALDH1A1MAPTTHRB

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 8 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 claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US 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-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

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 ECE2 3100/4885MET 1/4885KDM4E 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.