SCHEMBL984592

SCHEMBL984592

CC(C(=O)N1CCC(c2ccc(F)cc2)=N1)c1ccc2nsnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
PGR P06401 3/20 0.39
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KCNK3 O14649 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL982014 0.81 NPC1 (0.45) MAOBMAPTRAB9ANPC1ALDH1A1
SCHEMBL981910 0.78 MAOA (0.35) MAOBPGRMAPTRAB9ANPC1
SCHEMBL979417 0.77 MAOB (0.43) MAOBPGRMAPTRAB9ANPC1
SCHEMBL984590 0.75 MAOB (0.41) MAOBPGRMAPTRAB9ANPC1
SCHEMBL979174 0.71 MEN1 (0.43) MAOBPGRMAPTALDH1A1SMN1; SMN2
SCHEMBL979329 0.70 ALDH1A1 (0.37) MAOBPGRMAPTRAB9ANPC1
SCHEMBL981510 0.70 PGR (0.47) MAOBPGRMAPTRAB9AALDH1A1
SCHEMBL17004388 0.68 GRM5 (0.39) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL980199 0.68 MAOB (0.44) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL982362 0.68 ALDH1A1 (0.38) MAOBPGRMAPTRAB9AALDH1A1

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 7 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US 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 MAOB 1138/4885PGR 1338/4885MAPT 4012/4885

“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.