SCHEMBL1978244

SCHEMBL1978244

CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)cc2)(c2ccc(-c3cn[nH]c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.58
ROCK2 O75116 7/20 0.48
AKT2 P31751 2/20 0.46
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
AKT1 P31749 1/20 0.42
AKT3 Q9Y243 1/20 0.42
JAK1 P23458 1/20 0.42
PKM P14618 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
SCHEMBL11989494 0.92 AKT2 (0.56) GPR119ROCK2AKT2OPRD1OPRK1
SCHEMBL11989484 0.83 ROCK2 (0.50) GPR119ROCK2OPRD1OPRK1JAK1
SCHEMBL1978679 0.80 MEN1 (0.57) GPR119OPRD1OPRK1
SCHEMBL11990116 0.79 AKT2 (0.56) ROCK2AKT2AKT1AKT3
SCHEMBL1977642 0.78 AKT2 (0.74) ROCK2AKT2AKT1AKT3
SCHEMBL15961875 0.74 KMT2A (0.45) GPR119OPRD1OPRK1PKM
SCHEMBL15507364 0.73 GPR119 (1.00) GPR119
SCHEMBL17442798 0.73 ROCK2 (0.59) ROCK2AKT2AKT1
SCHEMBL3400582 0.72 GPR119 (0.52) GPR119ROCK2
SCHEMBL8019758 0.72 GPR119 (0.47) GPR119ROCK2JAK1

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 23 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-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-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 US disclosed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 US disclosed
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2013-01-03 US disclosed
US-8343953-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-01-01 US disclosed
US-8343953-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-01-01 US disclosed
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 US disclosed
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-01 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
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 (6 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-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 GPR119 439/4885ROCK2 1533/4885AKT2 124/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 GPR119 1181/4885ROCK2 451/4885AKT2 146/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 GPR119 466/4885ROCK2 1353/4885AKT2 114/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 GPR119 263/4885ROCK2 29/4885AKT2 37/4885
US-20100166699-A1 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, ERBB3, NCOA3 GPR119 366/4885ROCK2 2144/4885AKT2 214/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 GPR119 466/4885ROCK2 1353/4885AKT2 114/4885

“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.