SCHEMBL1978087

SCHEMBL1978087

CC(C)(C)OC(=O)N1CCN(CC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.52
STS P08842 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
VEGFA P15692 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
ABCB1 P08183 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 3/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL7119173 0.88 MEN1 (0.54) MEN1KMT2AHTTSTSNPC1
SCHEMBL23532387 0.86 MEN1 (0.53) MEN1KMT2AHTTSTSNPC1
SCHEMBL18129169 0.85 SIGMAR1 (0.55) MEN1KMT2AHTTSTSNPC1
SCHEMBL16825885 0.85 SIGMAR1 (0.55) MEN1KMT2AHTTSTSNPC1
SCHEMBL16825957 0.82 MEN1 (0.51) MEN1KMT2AHTTSTSNPC1
SCHEMBL2926415 0.81 VEGFA (0.60) MEN1KMT2AHTTSTSNPC1
SCHEMBL5536182 0.81 VEGFA (0.68) MEN1KMT2AHTTSTSMAPT
SCHEMBL31420190 0.80 SLC6A4 (0.62) MEN1KMT2ACHRM2CHRM1CYP3A4
SCHEMBL17276580 0.80 MGLL (0.64) MEN1KMT2AHTTSTSNPC1
SCHEMBL12371643 0.80 MEN1 (0.56) MEN1KMT2AHTTSTSNPC1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-01 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 EP disclosed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 EP disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 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 (4 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-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 MEN1 3759/4885KMT2A 1820/4885HTT 4297/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 MEN1 2304/4885KMT2A 2709/4885HTT 2380/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 MEN1 3597/4885KMT2A 1913/4885HTT 4153/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 MEN1 3759/4885KMT2A 1820/4885HTT 4297/4885

“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.