SCHEMBL982843

SCHEMBL982843

COc1ccc(CC(=O)N2CCC(c3cccc(C#N)c3)=N2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
ORAI1 Q96D31 1/20 0.46
MAOB P27338 4/20 0.45
POLB P06746 1/20 0.43
VNN1 O95497 2/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PTGDR Q13258 1/20 0.41
MAPT P10636 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL984691 0.91 MAOB (0.49) SMN1; SMN2ALDH1A1RAB9AHPGDORAI1
SCHEMBL981950 0.88 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL979341 0.87 LMNA (0.44) ALDH1A1ORAI1
SCHEMBL980235 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9AHPGDORAI1
SCHEMBL981640 0.87 PTGDR2 (0.43) ALDH1A1VNN1
SCHEMBL979203 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1RAB9AHPGDORAI1
SCHEMBL980150 0.83 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL15086834 0.82 MAOB (0.57) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL981998 0.82 RAB9A (0.54) SMN1; SMN2ALDH1A1RAB9AHPGDORAI1
SCHEMBL1427068 0.82 ORAI1 (0.42) SMN1; SMN2ALDH1A1RAB9AHPGDORAI1

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 5 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
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 CN 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 4245/4885ALDH1A1 399/4885RAB9A 2347/4885

“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.