SCHEMBL980992

SCHEMBL980992

O=C(Cc1cccc(Cl)c1)N1CCC(c2cc(Cl)ccc2O)=N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.51
PIK3CA P42336 1/20 0.43
ORAI1 Q96D31 4/20 0.41
ATM Q13315 1/20 0.41
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNQ2 O43526 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CTBP2 P56545 1/20 0.38

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
SCHEMBL979359 0.89 MET (0.49) METORAI1KMT2AMAOAMAOB
SCHEMBL982454 0.87 ME2 (0.44) METPIK3CAORAI1ATMALDH1A1
SCHEMBL979473 0.87 FNTA (0.49) MET
SCHEMBL979197 0.84 ECE2 (0.49) METORAI1ALDH1A1MEN1KMT2A
SCHEMBL981003 0.83 MET (0.42) METORAI1ALDH1A1LMNANPSR1
SCHEMBL980062 0.83 MAPT (0.48) METALDH1A1LMNANPSR1MEN1
SCHEMBL981328 0.82 MET (0.42) METALDH1A1PKMNPSR1MEN1
SCHEMBL983930 0.81 MET (0.58) METORAI1ATMPARP1ALDH1A1
SCHEMBL1427173 0.81 MET (0.58) METORAI1ALDH1A1LMNAPKM
SCHEMBL13580043 0.81 MET (0.58) METORAI1ALDH1A1LMNAMAOB

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 1/4885PIK3CA 195/4885ORAI1 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.