SCHEMBL980755

SCHEMBL980755

O=C(Cc1ccc2[nH]nnc2c1)N1CCC(c2cc(Cl)ccc2O)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
MAPT P10636 4/20 0.33
ORAI1 Q96D31 2/20 0.33
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KDR P35968 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIN2B Q13224 1/20 0.32
F10 P00742 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PIM1 P11309 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 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
SCHEMBL979465 0.85 MET (0.41) METORAI1IDO1ALDH1A1KDR
SCHEMBL979359 0.83 MET (0.49) METORAI1KMT2AERCC1ERCC4
SCHEMBL979197 0.82 ECE2 (0.49) METORAI1ALDH1A1KDM4EMEN1
SCHEMBL982454 0.82 ME2 (0.44) METMAPTORAI1ALDH1A1MAPK1
SCHEMBL981003 0.82 MET (0.42) METMAPTORAI1ALDH1A1KDM4E
SCHEMBL980992 0.81 MET (0.51) METORAI1ALDH1A1NPSR1MEN1
SCHEMBL981328 0.80 MET (0.42) METMAPTALDH1A1KDM4ENPSR1
SCHEMBL982105 0.79 MAOB (0.41) ALDH1A1HPGDMAOAMAOBUSP2
SCHEMBL980062 0.78 MAPT (0.48) METMAPTALDH1A1MAPK1NPSR1
SCHEMBL981799 0.76 MET (0.48) METORAI1MEN1KMT2ALMNA

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 MET 1/4885MAPT 4012/4885ORAI1 4824/4885

“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.