SCHEMBL983930

SCHEMBL983930

Nc1cccc(CC(=O)N2CCC(c3cc(Cl)ccc3Cl)=N2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.58
ORAI1 Q96D31 5/20 0.46
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN11 Q06124 2/20 0.35
PARP1 P09874 1/20 0.35
EIF2AK2 P19525 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
CNR1 P21554 2/20 0.34
ATM Q13315 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL1427173 0.87 MET (0.58) METORAI1ALDH1A1LMNAPKM
SCHEMBL13580043 0.87 MET (0.58) METORAI1ALDH1A1LMNACNR1
SCHEMBL981593 0.84 MET (0.55) METORAI1ALDH1A1LMNANPSR1
SCHEMBL5046607 0.84 MET (0.68) METORAI1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5050480 0.83 MET (0.67) METORAI1ALDH1A1LMNA
SCHEMBL1427063 0.81 MET (0.53) METORAI1ALDH1A1LMNAPKM
SCHEMBL980992 0.81 MET (0.51) METORAI1ALDH1A1LMNAPKM
SCHEMBL1427084 0.81 MET (0.52) METORAI1ALDH1A1LMNAPKM
SCHEMBL1427200 0.80 MET (0.53) METORAI1ALDH1A1LMNAPKM
SCHEMBL5050486 0.80 MET (0.51) METORAI1ALDH1A1LMNAPKM

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 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-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 MET 1/4885ORAI1 4824/4885ALDH1A1 399/4885

“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.