SCHEMBL979341

SCHEMBL979341

N#Cc1cccc(C2=NN(C(=O)Cc3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.41
HCRTR1 O43613 1/20 0.41
FAAH O00519 2/20 0.40
ORAI1 Q96D31 4/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CFTR P13569 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMO Q99835 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
F11 P03951 1/20 0.39

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
SCHEMBL981640 0.90 PTGDR2 (0.43) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL1427068 0.89 ORAI1 (0.42) FAAHORAI1ALDH1A1KCNJ1KCNH2
SCHEMBL982843 0.87 SMN1; SMN2 (0.54) ORAI1ALDH1A1
SCHEMBL982227 0.87 NR3C2 (0.46) LMNAHCRTR1ALDH1A1CYP11B1CYP11B2
SCHEMBL984691 0.87 MAOB (0.49) LMNAORAI1ALDH1A1
SCHEMBL1427074 0.84 MET (0.41) ORAI1CPT2CPT1ACYP11B2CHRM3
SCHEMBL981651 0.84 ALDH1A1 (0.50) LMNAHCRTR1FAAHALDH1A1
SCHEMBL979962 0.82 ORAI1 (0.57) LMNAHCRTR1ORAI1ALDH1A1
SCHEMBL1427616 0.82 LIPG (0.37) HCRTR1ORAI1ALDH1A1CHRM3
SCHEMBL15086834 0.81 MAOB (0.57) LMNAALDH1A1

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
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

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 LMNA 4458/4885MGLL 3086/4885HCRTR1 2748/4885

“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.